#------------------------------------------------------------------------------
#$Date: 2020-09-22 04:21:16 +0300 (Tue, 22 Sep 2020) $
#$Revision: 256606 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/91/1559134.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1559134
loop_
_publ_author_name
'Lu, Ye'
'Liu, Dong'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 A Hierarchical Assembly Strategy for Near-Infrared Photothermal
 Conversion: Unconventional Heterogeneous Metalla[2]catenanes
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC04523C
_journal_year                    2020
_chemical_formula_sum            'C208 H264 F24 N26 O68 Rh8 S10'
_chemical_formula_weight         5816.32
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-08-08 deposited with the CCDC.	2020-09-21 downloaded from the CCDC.
;
_cell_angle_alpha                92.104(7)
_cell_angle_beta                 98.905(7)
_cell_angle_gamma                102.575(7)
_cell_formula_units_Z            2
_cell_length_a                   22.383(4)
_cell_length_b                   24.161(4)
_cell_length_c                   24.592(4)
_cell_measurement_reflns_used    9745
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      55.72
_cell_measurement_theta_min      3.27
_cell_volume                     12790(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           GaK\a
_diffrn_radiation_wavelength     1.34138
_diffrn_reflns_av_R_equivalents  0.0784
_diffrn_reflns_av_unetI/netI     0.0812
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            232175
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         56.000
_diffrn_reflns_theta_min         2.760
_exptl_absorpt_coefficient_mu    3.819
_exptl_absorpt_correction_T_max  0.579
_exptl_absorpt_correction_T_min  0.348
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_description       block
_exptl_crystal_F_000             5948
_exptl_crystal_size_max          0.450
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.240
_refine_diff_density_max         3.421
_refine_diff_density_min         -1.227
_refine_diff_density_rms         0.151
_refine_ls_extinction_coef       0.00088(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2687
_refine_ls_number_reflns         50484
_refine_ls_number_restraints     541
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.1172
_refine_ls_R_factor_gt           0.1005
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1973P)²+14.0955P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2969
_refine_ls_wR_factor_ref         0.3201
_reflns_Friedel_coverage         0.000
_reflns_number_gt                37106
_reflns_number_total             50484
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc04523c2.cif
_cod_data_source_block           Hetero-7
_cod_database_code               1559134
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
_shelx_estimated_absorpt_t_min   0.278
_shelx_estimated_absorpt_t_max   0.461
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.80887(2) -0.01480(2) 0.89633(2) 0.07513(15) Uani 1 1 d . . . . .
Rh2 Rh 0.79632(4) 0.28377(3) 1.04046(4) 0.1257(3) Uani 1 1 d . . . . .
Rh3 Rh 0.21945(3) 0.04859(3) 0.47513(2) 0.08857(18) Uani 1 1 d . . . . .
Rh4 Rh 0.19005(2) 0.33140(2) 0.63551(3) 0.08440(17) Uani 1 1 d . . . . .
Rh5 Rh 0.24652(3) 0.33511(2) 0.94743(3) 0.0972(2) Uani 1 1 d . . . . .
Rh6 Rh 0.18956(2) 0.04187(2) 0.76709(2) 0.06701(14) Uani 1 1 d . . . . .
Rh7 Rh 0.83332(3) 0.63737(3) 0.69419(3) 0.1057(2) Uani 1 1 d . . . . .
Rh8 Rh 0.77786(3) 0.34072(3) 0.52062(3) 0.0953(2) Uani 1 1 d . . . . .
N2 N 0.5339(3) 0.0894(3) 0.6220(2) 0.0794(15) Uani 0.552(9) 1 d . . P A 1
H2 H 0.5375 0.1112 0.5943 0.095 Uiso 0.552(9) 1 calc R U P A 1
N3 N 0.5018(3) -0.0131(3) 0.7583(3) 0.0901(18) Uani 0.552(9) 1 d . . P A 1
H3 H 0.4971 -0.0349 0.7859 0.108 Uiso 0.552(9) 1 calc R U P A 1
O9 O 0.6388(4) 0.0959(4) 0.6582(3) 0.077(2) Uani 0.552(9) 1 d . . P A 1
O10 O 0.3982(3) -0.0191(4) 0.7222(3) 0.079(2) Uani 0.552(9) 1 d . . P A 1
C18 C 0.4766(3) 0.0632(3) 0.6335(3) 0.0797(17) Uani 0.552(9) 1 d . . P A 1
C19 C 0.4862(3) 0.0353(3) 0.6814(3) 0.0811(17) Uani 0.552(9) 1 d . . P A 1
C20 C 0.5500(3) 0.0413(3) 0.7000(3) 0.0824(17) Uani 0.552(9) 1 d . . P A 1
C21 C 0.5596(3) 0.0129(3) 0.7469(3) 0.0825(17) Uani 0.552(9) 1 d . . P A 1
C22 C 0.5946(4) 0.0785(2) 0.6615(2) 0.129(2) Uani 0.552(9) 1 d . . P A 1
C23 C 0.4466(3) -0.0009(3) 0.7192(2) 0.1280(19) Uani 0.552(9) 1 d . . P A 1
S1' S 0.5946(4) 0.0785(2) 0.6615(2) 0.129(2) Uani 0.448(9) 1 d . . P A 2
S2' S 0.4466(3) -0.0009(3) 0.7192(2) 0.1280(19) Uani 0.448(9) 1 d . . P A 2
C18' C 0.4766(3) 0.0632(3) 0.6335(3) 0.0797(17) Uani 0.448(9) 1 d . . P A 2
C19' C 0.4862(3) 0.0353(3) 0.6814(3) 0.0811(17) Uani 0.448(9) 1 d . . P A 2
C20' C 0.5500(3) 0.0413(3) 0.7000(3) 0.0824(17) Uani 0.448(9) 1 d . . P A 2
C21' C 0.5596(3) 0.0129(3) 0.7469(3) 0.0825(17) Uani 0.448(9) 1 d . . P A 2
C22' C 0.5339(3) 0.0894(3) 0.6220(2) 0.0794(15) Uani 0.448(9) 1 d . . P A 2
H22' H 0.5377 0.1129 0.5921 0.095 Uiso 0.448(9) 1 calc R U P A 2
C23' C 0.5018(3) -0.0131(3) 0.7583(3) 0.0901(18) Uani 0.448(9) 1 d . . P A 2
H23' H 0.4968 -0.0367 0.7881 0.108 Uiso 0.448(9) 1 calc R U P A 2
N10 N 0.5541(3) 0.4315(3) 0.8894(3) 0.0916(18) Uani 0.448(9) 1 d . . P A 1
H10 H 0.5570 0.4125 0.9192 0.110 Uiso 0.448(9) 1 calc R U P A 1
N11 N 0.5208(4) 0.5205(4) 0.7396(3) 0.103(2) Uani 0.448(9) 1 d . . P A 1
H11 H 0.5165 0.5414 0.7113 0.124 Uiso 0.448(9) 1 calc R U P A 1
O21 O 0.6595(5) 0.4691(5) 0.8821(5) 0.082(3) Uani 0.448(9) 1 d . . P A 1
O22 O 0.4165(4) 0.4886(5) 0.7474(5) 0.083(3) Uani 0.448(9) 1 d . . P A 1
C102 C 0.4944(4) 0.4328(3) 0.8588(4) 0.094(2) Uani 0.448(9) 1 d . . P A 1
C103 C 0.5056(4) 0.4666(3) 0.8147(3) 0.0899(19) Uani 0.448(9) 1 d . . P A 1
C104 C 0.5691(4) 0.4857(3) 0.8140(3) 0.0866(18) Uani 0.448(9) 1 d . . P A 1
C105 C 0.5789(4) 0.5180(4) 0.7702(3) 0.098(2) Uani 0.448(9) 1 d . . P A 1
C106 C 0.6173(4) 0.46622(18) 0.8680(2) 0.134(2) Uani 0.448(9) 1 d . . P A 1
C107 C 0.4639(3) 0.4815(2) 0.7617(2) 0.1384(18) Uani 0.448(9) 1 d . . P A 1
S3' S 0.6173(4) 0.46622(18) 0.8680(2) 0.134(2) Uani 0.552(9) 1 d . . P A 2
S4' S 0.4639(3) 0.4815(2) 0.7617(2) 0.1384(18) Uani 0.552(9) 1 d . . P A 2
C202 C 0.4944(4) 0.4328(3) 0.8588(4) 0.094(2) Uani 0.552(9) 1 d . . P A 2
C203 C 0.5056(4) 0.4666(3) 0.8147(3) 0.0899(19) Uani 0.552(9) 1 d . . P A 2
C204 C 0.5691(4) 0.4857(3) 0.8140(3) 0.0866(18) Uani 0.552(9) 1 d . . P A 2
C205 C 0.5789(4) 0.5180(4) 0.7702(3) 0.098(2) Uani 0.552(9) 1 d . . P A 2
C206 C 0.5541(3) 0.4315(3) 0.8894(3) 0.0916(18) Uani 0.552(9) 1 d . . P A 2
H206 H 0.5572 0.4109 0.9216 0.110 Uiso 0.552(9) 1 calc R U P A 2
C207 C 0.5208(4) 0.5205(4) 0.7396(3) 0.103(2) Uani 0.552(9) 1 d . . P A 2
H207 H 0.5162 0.5430 0.7090 0.124 Uiso 0.552(9) 1 calc R U P A 2
C75 C 0.1079(9) 0.3465(8) 0.6520(10) 0.113(4) Uani 0.609(19) 1 d D U P B 1
C76 C 0.1545(8) 0.3781(8) 0.6932(7) 0.097(3) Uani 0.609(19) 1 d . U P B 1
C77 C 0.1958(8) 0.4178(7) 0.6649(8) 0.098(3) Uani 0.609(19) 1 d . U P B 1
C78 C 0.1698(9) 0.4091(8) 0.6093(8) 0.100(3) Uani 0.609(19) 1 d . U P B 1
C79 C 0.1180(8) 0.3672(9) 0.5979(8) 0.110(4) Uani 0.609(19) 1 d D U P B 1
C80 C 0.0527(10) 0.2999(11) 0.6589(15) 0.168(10) Uani 0.609(19) 1 d D U P B 1
H80A H 0.0142 0.3125 0.6471 0.251 Uiso 0.609(19) 1 calc R U P B 1
H80B H 0.0556 0.2914 0.6977 0.251 Uiso 0.609(19) 1 calc R U P B 1
H80C H 0.0525 0.2656 0.6362 0.251 Uiso 0.609(19) 1 calc R U P B 1
C81 C 0.1559(14) 0.3731(12) 0.7497(10) 0.156(9) Uani 0.609(19) 1 d . U P B 1
H81A H 0.1929 0.3994 0.7702 0.234 Uiso 0.609(19) 1 calc R U P B 1
H81B H 0.1186 0.3822 0.7604 0.234 Uiso 0.609(19) 1 calc R U P B 1
H81C H 0.1574 0.3340 0.7582 0.234 Uiso 0.609(19) 1 calc R U P B 1
C82 C 0.2522(11) 0.4599(9) 0.6922(11) 0.143(8) Uani 0.609(19) 1 d . U P B 1
H82A H 0.2739 0.4427 0.7225 0.215 Uiso 0.609(19) 1 calc R U P B 1
H82B H 0.2402 0.4934 0.7068 0.215 Uiso 0.609(19) 1 calc R U P B 1
H82C H 0.2798 0.4712 0.6653 0.215 Uiso 0.609(19) 1 calc R U P B 1
C83 C 0.1979(13) 0.4417(10) 0.5632(11) 0.152(9) Uani 0.609(19) 1 d . U P B 1
H83A H 0.1963 0.4818 0.5678 0.228 Uiso 0.609(19) 1 calc R U P B 1
H83B H 0.1741 0.4252 0.5272 0.228 Uiso 0.609(19) 1 calc R U P B 1
H83C H 0.2412 0.4388 0.5652 0.228 Uiso 0.609(19) 1 calc R U P B 1
C84 C 0.0785(12) 0.3459(12) 0.5414(10) 0.155(8) Uani 0.609(19) 1 d D U P B 1
H84A H 0.0424 0.3163 0.5462 0.232 Uiso 0.609(19) 1 calc R U P B 1
H84B H 0.1034 0.3302 0.5181 0.232 Uiso 0.609(19) 1 calc R U P B 1
H84C H 0.0643 0.3776 0.5239 0.232 Uiso 0.609(19) 1 calc R U P B 1
C75' C 0.0978(6) 0.3455(6) 0.6315(6) 0.097(5) Uani 0.391(19) 1 d G U P B 2
C76' C 0.1303(8) 0.3616(7) 0.6848(6) 0.100(5) Uani 0.391(19) 1 d G U P B 2
C77' C 0.1813(8) 0.4054(7) 0.6815(7) 0.104(5) Uani 0.391(19) 1 d G U P B 2
C78' C 0.1804(7) 0.4164(6) 0.6261(8) 0.103(5) Uani 0.391(19) 1 d G U P B 2
C79' C 0.1287(7) 0.3794(6) 0.5952(6) 0.108(5) Uani 0.391(19) 1 d G U P B 2
C80' C 0.0403(8) 0.3003(8) 0.6160(12) 0.122(9) Uani 0.391(19) 1 d G U P B 2
H80D H 0.0042 0.3160 0.6196 0.183 Uiso 0.391(19) 1 calc R U P B 2
H80E H 0.0416 0.2693 0.6405 0.183 Uiso 0.391(19) 1 calc R U P B 2
H80F H 0.0372 0.2856 0.5778 0.183 Uiso 0.391(19) 1 calc R U P B 2
C81' C 0.1135(13) 0.3365(11) 0.7360(9) 0.136(11) Uani 0.391(19) 1 d G U P B 2
H81D H 0.1509 0.3414 0.7639 0.203 Uiso 0.391(19) 1 calc R U P B 2
H81E H 0.0944 0.2959 0.7280 0.203 Uiso 0.391(19) 1 calc R U P B 2
H81F H 0.0839 0.3557 0.7499 0.203 Uiso 0.391(19) 1 calc R U P B 2
C82' C 0.2284(12) 0.4352(11) 0.7285(11) 0.175(16) Uani 0.391(19) 1 d G U P B 2
H82D H 0.2086 0.4561 0.7527 0.262 Uiso 0.391(19) 1 calc R U P B 2
H82E H 0.2612 0.4618 0.7146 0.262 Uiso 0.391(19) 1 calc R U P B 2
H82F H 0.2464 0.4072 0.7494 0.262 Uiso 0.391(19) 1 calc R U P B 2
C83' C 0.2263(11) 0.4599(10) 0.6040(13) 0.180(17) Uani 0.391(19) 1 d G U P B 2
H83D H 0.2044 0.4808 0.5773 0.270 Uiso 0.391(19) 1 calc R U P B 2
H83E H 0.2534 0.4412 0.5858 0.270 Uiso 0.391(19) 1 calc R U P B 2
H83F H 0.2514 0.4864 0.6344 0.270 Uiso 0.391(19) 1 calc R U P B 2
C84' C 0.1101(12) 0.3765(11) 0.5345(8) 0.120(8) Uani 0.391(19) 1 d G U P B 2
H84D H 0.1055 0.3375 0.5191 0.179 Uiso 0.391(19) 1 calc R U P B 2
H84E H 0.1419 0.4022 0.5185 0.179 Uiso 0.391(19) 1 calc R U P B 2
H84F H 0.0704 0.3878 0.5256 0.179 Uiso 0.391(19) 1 calc R U P B 2
N1 N 0.3051(3) 0.0618(3) 0.5296(2) 0.0824(14) Uani 1 1 d . . . . .
N4 N 0.7264(2) -0.0097(3) 0.8437(2) 0.0802(14) Uani 1 1 d . . . . .
N5 N 0.2767(3) 0.3238(3) 0.6783(3) 0.0851(15) Uani 1 1 d . . . . .
N6 N 0.5075(2) 0.3363(3) 0.7520(3) 0.0859(15) Uani 1 1 d D . . . .
H6 H 0.5114 0.3559 0.7228 0.103 Uiso 1 1 calc R U . . .
N7 N 0.4858(3) 0.2374(3) 0.8897(3) 0.1018(19) Uani 1 1 d . . . . .
H7 H 0.4827 0.2173 0.9186 0.122 Uiso 1 1 calc R U . . .
N8 N 0.7124(4) 0.2746(3) 0.9838(4) 0.118(3) Uani 1 1 d . . . . .
N9 N 0.3270(3) 0.3593(3) 0.9115(3) 0.0965(18) Uani 1 1 d . . . . .
N12 N 0.7485(4) 0.6008(3) 0.7194(3) 0.1016(19) Uani 1 1 d . . . . .
N13 N 0.2749(2) 0.0837(2) 0.7443(2) 0.0732(12) Uani 1 1 d . . . . .
N14 N 0.5021(3) 0.1736(3) 0.7338(3) 0.0889(16) Uani 1 1 d . . . . .
H14 H 0.5068 0.1547 0.7635 0.107 Uiso 1 1 calc R U . . .
N15 N 0.4724(3) 0.2608(3) 0.5876(3) 0.1001(19) Uani 1 1 d D . . . .
H15 H 0.4675 0.2790 0.5575 0.120 Uiso 1 1 calc R U . . .
N16 N 0.6970(3) 0.3200(3) 0.5562(4) 0.102(2) Uani 1 1 d . . . . .
O1 O 0.7714(2) 0.02048(19) 0.95948(19) 0.0749(10) Uani 1 1 d . . . . .
O2 O 0.8353(2) 0.0737(3) 0.8890(2) 0.0923(14) Uani 1 1 d . . . . .
O3 O 0.8305(3) 0.2491(2) 0.9731(3) 0.120(2) Uani 1 1 d . . . . .
O4 O 0.7682(3) 0.1958(2) 1.0451(3) 0.1029(16) Uani 1 1 d . . . . .
O5 O 0.1849(2) 0.0769(2) 0.5436(2) 0.0832(12) Uani 1 1 d . . . . .
O6 O 0.2402(2) 0.1373(2) 0.4717(2) 0.0902(13) Uani 1 1 d . . . . .
O7 O 0.2205(2) 0.3041(2) 0.5653(2) 0.0892(13) Uani 1 1 d . . . . .
O8 O 0.1650(2) 0.2417(2) 0.6356(2) 0.0830(12) Uani 1 1 d . . . . .
O11 O 0.6120(3) 0.3490(3) 0.7859(3) 0.1066(16) Uani 1 1 d . . . . .
O12 O 0.3822(3) 0.2231(3) 0.8536(3) 0.1109(18) Uani 1 1 d . . . . .
O13 O 0.2661(3) 0.2536(2) 0.9499(2) 0.0902(13) Uani 1 1 d . . . . .
O14 O 0.2015(3) 0.2955(2) 0.8684(3) 0.0957(14) Uani 1 1 d . . . . .
O15 O 0.1673(2) 0.12270(19) 0.76357(18) 0.0743(10) Uani 1 1 d . . . . .
O16 O 0.2303(2) 0.08123(18) 0.84582(17) 0.0727(10) Uani 1 1 d . . . . .
O17 O 0.8534(3) 0.5566(3) 0.7006(2) 0.1043(16) Uani 1 1 d . . . . .
O18 O 0.7923(3) 0.5955(2) 0.6167(2) 0.0955(14) Uani 1 1 d . . . . .
O19 O 0.7607(2) 0.4226(2) 0.5147(2) 0.0975(15) Uani 1 1 d . . . . .
O20 O 0.8225(2) 0.3824(2) 0.5983(3) 0.0997(15) Uani 1 1 d . . . . .
O23 O 0.6057(2) 0.2084(3) 0.7293(3) 0.1034(16) Uani 1 1 d . . . . .
O24 O 0.3692(3) 0.2274(3) 0.5959(3) 0.1113(18) Uani 1 1 d . . . . .
O25 O 0.4312(6) 0.8116(5) 0.5667(6) 0.213(5) Uani 1 1 d . . . . .
O26 O 0.4453(4) 0.8476(4) 0.4762(3) 0.161(3) Uani 1 1 d . . . . .
O27 O 0.5285(5) 0.8392(6) 0.5422(5) 0.209(5) Uani 1 1 d . . . . .
O28 O 0.5769(6) 0.3818(6) -0.0070(5) 0.190(4) Uani 1 1 d . . . . .
O29 O 0.5901(7) 0.3445(6) 0.0856(6) 0.213(5) Uani 1 1 d . . . . .
O30 O 0.4942(6) 0.3263(4) 0.0286(7) 0.254(8) Uani 1 1 d D . . . .
O31 O 0.9907(5) 0.8933(4) 0.8704(5) 0.174(4) Uani 1 1 d . . . . .
O32 O 0.9979(6) 0.7970(5) 0.8617(5) 0.192(5) Uani 1 1 d . . . . .
O33 O 0.9082(4) 0.8231(4) 0.9001(7) 0.227(6) Uani 1 1 d . U . . .
O34 O 0.4738(4) 0.9254(6) 0.8519(4) 0.176(4) Uani 1 1 d . . . . .
O35 O 0.3901(5) 0.9793(6) 0.8452(5) 0.194(5) Uani 1 1 d . . . . .
O36 O 0.4379(11) 0.9529(10) 0.9338(7) 0.346(12) Uani 1 1 d . U . . .
O37 O 0.1700(8) 0.9153(9) 0.3027(8) 0.315(10) Uani 1 1 d . U . . .
O38 O 0.1177(8) 0.8448(8) 0.2283(8) 0.293(9) Uani 1 1 d . U . . .
O39 O 0.0684(10) 0.9241(8) 0.2407(10) 0.317(10) Uani 1 1 d . U . . .
O40 O 0.0105(7) 0.1899(8) 0.3907(5) 0.255(7) Uani 1 1 d . U . . .
O41 O -0.0457(6) 0.1035(5) 0.4230(5) 0.214(5) Uani 1 1 d . U . . .
O42 O -0.0588(12) 0.1985(11) 0.4665(11) 0.362(12) Uani 1 1 d . U . . .
S1 S 0.46523(15) 0.84653(13) 0.53360(15) 0.1305(9) Uani 1 1 d . . . . .
S2 S 0.5569(2) 0.36368(14) 0.0425(2) 0.1573(13) Uani 1 1 d D . . . .
S3 S 0.97103(17) 0.83897(18) 0.88652(19) 0.1543(12) Uani 1 1 d D . . . .
S4 S 0.42347(17) 0.9439(2) 0.87597(17) 0.1604(14) Uani 1 1 d . . . . .
S5 S 0.1115(2) 0.8940(3) 0.2680(3) 0.210(2) Uani 1 1 d . . . . .
S6 S -0.0232(3) 0.1639(3) 0.4282(2) 0.222(3) Uani 1 1 d . . . . .
F1 F 0.5093(9) 0.9526(4) 0.5388(7) 0.291(8) Uani 1 1 d . U . . .
F2 F 0.4195(10) 0.9301(9) 0.5553(10) 0.358(12) Uani 1 1 d . U . . .
F3 F 0.4921(9) 0.9236(7) 0.6153(6) 0.292(8) Uani 1 1 d D U . . .
F4 F 0.5827(7) 0.4643(4) 0.0870(7) 0.267(7) Uani 1 1 d . . . . .
F5 F 0.5000(7) 0.4463(5) 0.0349(7) 0.266(7) Uani 1 1 d D . . . .
F6 F 0.5151(10) 0.4172(8) 0.1185(7) 0.302(9) Uani 1 1 d . . . . .
F7 F 1.0020(7) 0.7905(6) 0.9777(6) 0.261(7) Uani 1 1 d D . . . .
F8 F 1.0739(4) 0.8527(7) 0.9470(6) 0.282(8) Uani 1 1 d D U . . .
F9 F 0.9978(10) 0.8805(6) 0.9868(5) 0.300(9) Uani 1 1 d D . . . .
F10 F 0.3538(6) 0.8584(6) 0.8226(7) 0.260(7) Uani 1 1 d . . . . .
F11 F 0.3921(9) 0.8431(7) 0.9067(8) 0.327(10) Uani 1 1 d . . . . .
F12 F 0.3204(5) 0.8900(7) 0.8920(6) 0.274(7) Uani 1 1 d D . . . .
F13 F 0.0530(7) 0.9036(10) 0.3441(8) 0.351(12) Uani 1 1 d . . . . .
F14 F 0.0064(7) 0.8376(7) 0.2881(7) 0.294(9) Uani 1 1 d . . . . .
F15 F 0.0876(12) 0.8268(12) 0.3374(10) 0.457(19) Uani 1 1 d D . . . .
F16 F 0.0667(5) 0.2181(4) 0.5063(4) 0.201(4) Uani 1 1 d D U . . .
F17 F 0.0096(6) 0.1427(7) 0.5285(5) 0.293(9) Uani 1 1 d D U . . .
F18 F 0.0712(8) 0.1380(8) 0.4687(8) 0.318(9) Uani 1 1 d D U . . .
C1 C 0.7847(3) 0.0742(3) 0.9662(3) 0.0735(15) Uani 1 1 d . . . . .
C2 C 0.8208(3) 0.1051(3) 0.9246(3) 0.0816(17) Uani 1 1 d . . . . .
C3 C 0.8347(4) 0.1651(4) 0.9268(4) 0.102(3) Uani 1 1 d . . . . .
H3A H 0.8560 0.1845 0.9000 0.123 Uiso 1 1 calc R U . . .
C4 C 0.8177(3) 0.1950(3) 0.9672(4) 0.097(2) Uani 1 1 d . . . . .
C5 C 0.7834(3) 0.1647(3) 1.0091(3) 0.0845(19) Uani 1 1 d . . . . .
C6 C 0.7675(3) 0.1052(3) 1.0071(3) 0.0771(16) Uani 1 1 d . . . . .
H6A H 0.7452 0.0863 1.0335 0.093 Uiso 1 1 calc R U . . .
C7 C 0.1909(3) 0.1299(3) 0.5508(3) 0.0736(15) Uani 1 1 d . . . . .
C8 C 0.2240(3) 0.1663(3) 0.5097(3) 0.0782(16) Uani 1 1 d . . . . .
C9 C 0.2345(3) 0.2251(3) 0.5153(3) 0.0845(18) Uani 1 1 d . . . . .
H9 H 0.2552 0.2476 0.4900 0.101 Uiso 1 1 calc R U . . .
C10 C 0.2146(3) 0.2502(3) 0.5577(3) 0.0780(16) Uani 1 1 d . . . . .
C11 C 0.1821(3) 0.2149(3) 0.5983(3) 0.0803(17) Uani 1 1 d . . . . .
C12 C 0.1717(3) 0.1567(3) 0.5939(3) 0.0777(16) Uani 1 1 d . . . . .
H12 H 0.1517 0.1349 0.6199 0.093 Uiso 1 1 calc R U . . .
C13 C 0.3085(4) 0.0271(4) 0.5721(3) 0.090(2) Uani 1 1 d . . . . .
H13 H 0.2719 0.0011 0.5775 0.108 Uiso 1 1 calc R U . . .
C14 C 0.3627(3) 0.0285(4) 0.6070(3) 0.0890(19) Uani 1 1 d . . . . .
H14A H 0.3630 0.0048 0.6371 0.107 Uiso 1 1 calc R U . . .
C15 C 0.4181(3) 0.0650(3) 0.5983(3) 0.0800(17) Uani 1 1 d . . . . .
C16 C 0.4145(4) 0.0990(4) 0.5544(3) 0.0910(19) Uani 1 1 d . . . . .
H16 H 0.4508 0.1235 0.5461 0.109 Uiso 1 1 calc R U . . .
C17 C 0.3576(4) 0.0968(4) 0.5232(3) 0.097(2) Uani 1 1 d . . . . .
H17 H 0.3557 0.1223 0.4948 0.116 Uiso 1 1 calc R U . . .
C24 C 0.6712(3) -0.0329(4) 0.8564(3) 0.0892(19) Uani 1 1 d . . . . .
H24 H 0.6699 -0.0549 0.8876 0.107 Uiso 1 1 calc R U . . .
C25 C 0.6157(3) -0.0268(4) 0.8267(3) 0.0875(18) Uani 1 1 d . . . . .
H25 H 0.5773 -0.0437 0.8376 0.105 Uiso 1 1 calc R U . . .
C26 C 0.6171(3) 0.0053(3) 0.7794(3) 0.0822(17) Uani 1 1 d . . . . .
C27 C 0.6743(3) 0.0289(4) 0.7656(3) 0.091(2) Uani 1 1 d . . . . .
H27 H 0.6771 0.0500 0.7339 0.109 Uiso 1 1 calc R U . . .
C28 C 0.7280(3) 0.0212(4) 0.7991(3) 0.0866(19) Uani 1 1 d . . . . .
H28 H 0.7673 0.0384 0.7901 0.104 Uiso 1 1 calc R U . . .
C29 C 0.2816(3) 0.2914(3) 0.7214(3) 0.0838(17) Uani 1 1 d . . . . .
H29 H 0.2445 0.2719 0.7327 0.101 Uiso 1 1 calc R U . . .
C30 C 0.3368(3) 0.2848(3) 0.7497(3) 0.0834(17) Uani 1 1 d . . . . .
H30 H 0.3377 0.2607 0.7793 0.100 Uiso 1 1 calc R U . . .
C31 C 0.3912(3) 0.3139(3) 0.7344(3) 0.0811(17) Uani 1 1 d . . . . .
C32 C 0.3877(3) 0.3480(4) 0.6911(4) 0.093(2) Uani 1 1 d . . . . .
H32 H 0.4245 0.3682 0.6797 0.111 Uiso 1 1 calc R U . . .
C33 C 0.3310(4) 0.3525(4) 0.6646(4) 0.098(2) Uani 1 1 d . . . . .
H33 H 0.3293 0.3768 0.6352 0.118 Uiso 1 1 calc R U . . .
C34 C 0.4509(3) 0.3097(3) 0.7654(3) 0.0815(17) Uani 1 1 d . . . . .
C35 C 0.4645(3) 0.2804(3) 0.8117(3) 0.0847(18) Uani 1 1 d . . . . .
C36 C 0.5293(4) 0.2921(3) 0.8284(4) 0.095(2) Uani 1 1 d . . . . .
C37 C 0.5417(3) 0.2663(3) 0.8772(4) 0.098(2) Uani 1 1 d . . . . .
C38 C 0.5596(3) 0.3284(3) 0.7913(3) 0.088(2) Uani 1 1 d D . . . .
C39 C 0.4338(4) 0.2436(3) 0.8508(4) 0.093(2) Uani 1 1 d . . . . .
C40 C 0.6596(5) 0.2489(4) 0.9986(5) 0.114(3) Uani 1 1 d . . . . .
H40 H 0.6600 0.2332 1.0335 0.137 Uiso 1 1 calc R U . . .
C41 C 0.6033(4) 0.2445(4) 0.9634(4) 0.107(3) Uani 1 1 d . . . . .
H41 H 0.5660 0.2242 0.9740 0.128 Uiso 1 1 calc R U . . .
C42 C 0.6006(4) 0.2686(3) 0.9141(5) 0.108(3) Uani 1 1 d . . . . .
C43 C 0.6554(4) 0.2964(4) 0.9016(5) 0.120(3) Uani 1 1 d . . . . .
H43 H 0.6562 0.3152 0.8683 0.145 Uiso 1 1 calc R U . . .
C44 C 0.7096(5) 0.2979(5) 0.9363(5) 0.125(3) Uani 1 1 d . . . . .
H44 H 0.7473 0.3168 0.9255 0.150 Uiso 1 1 calc R U . . .
C45 C 0.8997(3) -0.0285(4) 0.8961(3) 0.0866(19) Uani 1 1 d . . . . .
C46 C 0.8802(3) -0.0445(4) 0.9472(3) 0.090(2) Uani 1 1 d . . . . .
C47 C 0.8252(4) -0.0889(4) 0.9353(3) 0.091(2) Uani 1 1 d . . . . .
C48 C 0.8102(4) -0.1018(4) 0.8763(4) 0.093(2) Uani 1 1 d . . . . .
C49 C 0.8570(4) -0.0639(4) 0.8523(3) 0.092(2) Uani 1 1 d . . . . .
C50 C 0.9531(3) 0.0162(5) 0.8896(4) 0.109(3) Uani 1 1 d . . . . .
H50A H 0.9660 0.0418 0.9232 0.163 Uiso 1 1 calc R U . . .
H50B H 0.9417 0.0378 0.8582 0.163 Uiso 1 1 calc R U . . .
H50C H 0.9875 -0.0009 0.8830 0.163 Uiso 1 1 calc R U . . .
C51 C 0.9103(4) -0.0180(5) 1.0030(3) 0.113(3) Uani 1 1 d . . . . .
H51A H 0.9320 -0.0442 1.0230 0.170 Uiso 1 1 calc R U . . .
H51B H 0.8786 -0.0097 1.0235 0.170 Uiso 1 1 calc R U . . .
H51C H 0.9401 0.0175 0.9995 0.170 Uiso 1 1 calc R U . . .
C52 C 0.7918(4) -0.1173(4) 0.9775(4) 0.106(3) Uani 1 1 d . . . . .
H52A H 0.8180 -0.1389 0.9994 0.159 Uiso 1 1 calc R U . . .
H52B H 0.7533 -0.1432 0.9594 0.159 Uiso 1 1 calc R U . . .
H52C H 0.7820 -0.0886 1.0018 0.159 Uiso 1 1 calc R U . . .
C53 C 0.7598(5) -0.1468(5) 0.8476(6) 0.130(4) Uani 1 1 d . . . . .
H53A H 0.7730 -0.1829 0.8478 0.196 Uiso 1 1 calc R U . . .
H53B H 0.7486 -0.1376 0.8094 0.196 Uiso 1 1 calc R U . . .
H53C H 0.7236 -0.1502 0.8663 0.196 Uiso 1 1 calc R U . . .
C54 C 0.8613(5) -0.0639(5) 0.7925(3) 0.110(3) Uani 1 1 d . . . . .
H54A H 0.8713 -0.0246 0.7820 0.165 Uiso 1 1 calc R U . . .
H54B H 0.8215 -0.0841 0.7708 0.165 Uiso 1 1 calc R U . . .
H54C H 0.8940 -0.0830 0.7853 0.165 Uiso 1 1 calc R U . . .
C55 C 0.8835(6) 0.3267(5) 1.0863(7) 0.144(5) Uani 1 1 d D . . . .
C56 C 0.8531(9) 0.3676(4) 1.0583(8) 0.183(8) Uani 1 1 d D . . . .
C57 C 0.7982(9) 0.3644(6) 1.0770(9) 0.188(8) Uani 1 1 d . . . . .
C58 C 0.7881(7) 0.3211(6) 1.1174(6) 0.152(5) Uani 1 1 d D U . . .
C59 C 0.8448(6) 0.3000(5) 1.1234(6) 0.144(5) Uani 1 1 d D . . . .
C60 C 0.9451(6) 0.3190(6) 1.0808(7) 0.173(6) Uani 1 1 d . . . . .
H60A H 0.9763 0.3534 1.0961 0.260 Uiso 1 1 calc R U . . .
H60B H 0.9472 0.3121 1.0416 0.260 Uiso 1 1 calc R U . . .
H60C H 0.9534 0.2864 1.1008 0.260 Uiso 1 1 calc R U . . .
C61 C 0.8793(8) 0.4063(7) 1.0219(8) 0.220(10) Uani 1 1 d . . . . .
H61A H 0.8515 0.4010 0.9862 0.331 Uiso 1 1 calc R U . . .
H61B H 0.9197 0.3995 1.0166 0.331 Uiso 1 1 calc R U . . .
H61C H 0.8848 0.4453 1.0375 0.331 Uiso 1 1 calc R U . . .
C62 C 0.7525(10) 0.4009(6) 1.0589(9) 0.252(13) Uani 1 1 d . . . . .
H62A H 0.7167 0.3908 1.0780 0.378 Uiso 1 1 calc R U . . .
H62B H 0.7728 0.4411 1.0681 0.378 Uiso 1 1 calc R U . . .
H62C H 0.7385 0.3943 1.0190 0.378 Uiso 1 1 calc R U . . .
C63 C 0.7358(8) 0.3039(7) 1.1491(8) 0.193(8) Uani 1 1 d D . . . .
H63A H 0.7441 0.3281 1.1835 0.289 Uiso 1 1 calc R U . . .
H63B H 0.7321 0.2641 1.1577 0.289 Uiso 1 1 calc R U . . .
H63C H 0.6970 0.3081 1.1268 0.289 Uiso 1 1 calc R U . . .
C64 C 0.8597(7) 0.2538(5) 1.1588(5) 0.153(5) Uani 1 1 d . . . . .
H64A H 0.8973 0.2434 1.1501 0.230 Uiso 1 1 calc R U . . .
H64B H 0.8250 0.2204 1.1517 0.230 Uiso 1 1 calc R U . . .
H64C H 0.8666 0.2675 1.1978 0.230 Uiso 1 1 calc R U . . .
C65 C 0.1766(4) -0.0400(4) 0.4578(4) 0.104(2) Uani 1 1 d D . . . .
C66 C 0.1332(5) -0.0062(5) 0.4354(4) 0.114(3) Uani 1 1 d D . . . .
C67 C 0.1587(6) 0.0284(6) 0.3969(4) 0.131(4) Uani 1 1 d . . . . .
C68 C 0.2187(7) 0.0182(6) 0.3941(4) 0.141(5) Uani 1 1 d . . . . .
C69 C 0.2276(6) -0.0264(5) 0.4308(4) 0.123(3) Uani 1 1 d . . . . .
C70 C 0.1652(5) -0.0824(4) 0.4972(4) 0.117(3) Uani 1 1 d . . . . .
H70A H 0.1397 -0.1180 0.4780 0.176 Uiso 1 1 calc R U . . .
H70B H 0.1434 -0.0690 0.5248 0.176 Uiso 1 1 calc R U . . .
H70C H 0.2049 -0.0891 0.5156 0.176 Uiso 1 1 calc R U . . .
C71 C 0.0717(5) -0.0075(6) 0.4520(6) 0.146(4) Uani 1 1 d . . . . .
H71A H 0.0410 -0.0401 0.4323 0.218 Uiso 1 1 calc R U . . .
H71B H 0.0589 0.0277 0.4426 0.218 Uiso 1 1 calc R U . . .
H71C H 0.0749 -0.0110 0.4918 0.218 Uiso 1 1 calc R U . . .
C72 C 0.1287(8) 0.0685(8) 0.3657(6) 0.188(7) Uani 1 1 d . U . . .
H72A H 0.1594 0.0941 0.3484 0.282 Uiso 1 1 calc R U . . .
H72B H 0.1115 0.0908 0.3908 0.282 Uiso 1 1 calc R U . . .
H72C H 0.0952 0.0474 0.3371 0.282 Uiso 1 1 calc R U . . .
C73 C 0.2578(9) 0.0427(9) 0.3571(6) 0.212(8) Uani 1 1 d . U . . .
H73A H 0.2964 0.0292 0.3632 0.318 Uiso 1 1 calc R U . . .
H73B H 0.2366 0.0316 0.3191 0.318 Uiso 1 1 calc R U . . .
H73C H 0.2674 0.0842 0.3634 0.318 Uiso 1 1 calc R U . . .
C74 C 0.2874(7) -0.0523(6) 0.4448(7) 0.168(6) Uani 1 1 d . U . . .
H74A H 0.2928 -0.0611 0.4836 0.252 Uiso 1 1 calc R U . . .
H74B H 0.3241 -0.0246 0.4382 0.252 Uiso 1 1 calc R U . . .
H74C H 0.2820 -0.0872 0.4212 0.252 Uiso 1 1 calc R U . . .
C85 C 0.2445(3) 0.2209(3) 0.9060(3) 0.0769(15) Uani 1 1 d . . . . .
C86 C 0.2071(3) 0.2444(3) 0.8600(3) 0.0784(16) Uani 1 1 d . . . . .
C87 C 0.1822(3) 0.2118(3) 0.8111(3) 0.0763(15) Uani 1 1 d . . . . .
H87 H 0.1601 0.2271 0.7813 0.092 Uiso 1 1 calc R U . . .
C88 C 0.1898(3) 0.1566(3) 0.8061(2) 0.0673(13) Uani 1 1 d . . . . .
C89 C 0.2267(3) 0.1329(3) 0.8538(3) 0.0697(14) Uani 1 1 d . . . . .
C90 C 0.2537(3) 0.1658(3) 0.9013(3) 0.0713(14) Uani 1 1 d . . . . .
H90 H 0.2780 0.1516 0.9302 0.086 Uiso 1 1 calc R U . . .
C91 C 0.8328(3) 0.5215(3) 0.6576(3) 0.0893(19) Uani 1 1 d . . . . .
C92 C 0.7983(3) 0.5441(3) 0.6100(3) 0.0823(17) Uani 1 1 d . . . . .
C93 C 0.7726(3) 0.5105(3) 0.5619(3) 0.0865(18) Uani 1 1 d . . . . .
H93 H 0.7495 0.5247 0.5320 0.104 Uiso 1 1 calc R U . . .
C94 C 0.7810(3) 0.4566(3) 0.5586(3) 0.0858(19) Uani 1 1 d . . . . .
C95 C 0.8174(3) 0.4332(3) 0.6062(4) 0.0874(19) Uani 1 1 d . . . . .
C96 C 0.8400(3) 0.4663(4) 0.6546(4) 0.095(2) Uani 1 1 d . . . . .
H96 H 0.8604 0.4514 0.6856 0.114 Uiso 1 1 calc R U . . .
C97 C 0.3802(4) 0.3464(3) 0.9335(4) 0.099(2) Uani 1 1 d . . . . .
H97 H 0.3799 0.3212 0.9622 0.119 Uiso 1 1 calc R U . . .
C98 C 0.4355(4) 0.3682(3) 0.9160(4) 0.101(2) Uani 1 1 d . . . . .
H98 H 0.4722 0.3573 0.9320 0.121 Uiso 1 1 calc R U . . .
C99 C 0.4376(4) 0.4051(3) 0.8762(4) 0.093(2) Uani 1 1 d . . . . .
C100 C 0.3815(4) 0.4157(4) 0.8506(4) 0.098(2) Uani 1 1 d . . . . .
H100 H 0.3812 0.4392 0.8205 0.117 Uiso 1 1 calc R U . . .
C101 C 0.3273(4) 0.3928(4) 0.8681(4) 0.102(2) Uani 1 1 d . . . . .
H101 H 0.2895 0.4001 0.8499 0.122 Uiso 1 1 calc R U . . .
C108 C 0.6936(5) 0.6023(4) 0.6913(4) 0.106(2) Uani 1 1 d . . . . .
H108 H 0.6929 0.6220 0.6586 0.127 Uiso 1 1 calc R U . . .
C109 C 0.6382(4) 0.5779(4) 0.7055(4) 0.104(2) Uani 1 1 d . . . . .
H109 H 0.6007 0.5817 0.6835 0.125 Uiso 1 1 calc R U . . .
C110 C 0.6362(4) 0.5467(3) 0.7531(3) 0.095(2) Uani 1 1 d . . . . .
C111 C 0.6921(4) 0.5455(4) 0.7831(4) 0.107(2) Uani 1 1 d . . . . .
H111 H 0.6938 0.5263 0.8161 0.129 Uiso 1 1 calc R U . . .
C112 C 0.7487(4) 0.5728(5) 0.7655(4) 0.115(3) Uani 1 1 d . . . . .
H112 H 0.7872 0.5710 0.7870 0.138 Uiso 1 1 calc R U . . .
C113 C 0.3298(3) 0.0794(4) 0.7737(3) 0.0860(18) Uani 1 1 d . . . . .
H113 H 0.3300 0.0556 0.8036 0.103 Uiso 1 1 calc R U . . .
C114 C 0.3857(3) 0.1091(3) 0.7612(3) 0.0872(19) Uani 1 1 d . . . . .
H114 H 0.4237 0.1049 0.7822 0.105 Uiso 1 1 calc R U . . .
C115 C 0.3868(3) 0.1447(3) 0.7183(3) 0.0777(16) Uani 1 1 d . . . . .
C116 C 0.3304(3) 0.1489(3) 0.6884(3) 0.0825(17) Uani 1 1 d . . . . .
H116 H 0.3290 0.1726 0.6584 0.099 Uiso 1 1 calc R U . . .
C117 C 0.2755(3) 0.1176(3) 0.7031(3) 0.0805(16) Uani 1 1 d . . . . .
H117 H 0.2369 0.1209 0.6826 0.097 Uiso 1 1 calc R U . . .
C118 C 0.4454(3) 0.1765(3) 0.7044(3) 0.086(2) Uani 1 1 d . . . . .
C119 C 0.4550(3) 0.2097(3) 0.6601(3) 0.0829(18) Uani 1 1 d . . . . .
C120 C 0.5193(3) 0.2281(3) 0.6610(4) 0.089(2) Uani 1 1 d . . . . .
C121 C 0.5298(3) 0.2568(3) 0.6167(4) 0.093(2) Uani 1 1 d . . . . .
C122 C 0.5529(3) 0.2055(3) 0.7098(3) 0.0792(17) Uani 1 1 d . . . . .
C123 C 0.4223(3) 0.2314(3) 0.6131(4) 0.0877(19) Uani 1 1 d D . . . .
C124 C 0.6438(4) 0.3292(4) 0.5296(4) 0.099(2) Uani 1 1 d . . . . .
H124 H 0.6447 0.3494 0.4972 0.119 Uiso 1 1 calc R U . . .
C125 C 0.5864(4) 0.3104(4) 0.5474(4) 0.101(2) Uani 1 1 d . . . . .
H125 H 0.5490 0.3168 0.5274 0.121 Uiso 1 1 calc R U . . .
C126 C 0.5872(4) 0.2815(4) 0.5963(4) 0.102(2) Uani 1 1 d . . . . .
C127 C 0.6428(4) 0.2746(4) 0.6233(5) 0.108(3) Uani 1 1 d . . . . .
H127 H 0.6435 0.2552 0.6562 0.130 Uiso 1 1 calc R U . . .
C128 C 0.6975(4) 0.2944(4) 0.6050(5) 0.111(3) Uani 1 1 d . . . . .
H128 H 0.7356 0.2904 0.6259 0.133 Uiso 1 1 calc R U . . .
C129 C 0.2683(6) 0.3764(4) 1.0301(4) 0.123(3) Uani 1 1 d . . . . .
C130 C 0.2557(5) 0.4175(3) 0.9900(5) 0.111(3) Uani 1 1 d . . . . .
C131 C 0.1961(5) 0.3978(4) 0.9611(5) 0.121(3) Uani 1 1 d . . . . .
C132 C 0.1702(7) 0.3447(5) 0.9828(8) 0.145(5) Uani 1 1 d . . . . .
C133 C 0.2140(9) 0.3330(5) 1.0247(7) 0.156(6) Uani 1 1 d . . . . .
C134 C 0.3256(9) 0.3789(6) 1.0681(5) 0.165(6) Uani 1 1 d . . . . .
H13A H 0.3213 0.3927 1.1050 0.248 Uiso 1 1 calc R U . . .
H13B H 0.3599 0.4048 1.0554 0.248 Uiso 1 1 calc R U . . .
H13C H 0.3341 0.3408 1.0697 0.248 Uiso 1 1 calc R U . . .
C135 C 0.3030(6) 0.4696(4) 0.9818(5) 0.124(3) Uani 1 1 d . . . . .
H13D H 0.2904 0.4839 0.9460 0.186 Uiso 1 1 calc R U . . .
H13E H 0.3434 0.4600 0.9827 0.186 Uiso 1 1 calc R U . . .
H13F H 0.3060 0.4989 1.0113 0.186 Uiso 1 1 calc R U . . .
C136 C 0.1665(7) 0.4284(6) 0.9122(6) 0.157(5) Uani 1 1 d . . . . .
H13G H 0.1462 0.4563 0.9269 0.236 Uiso 1 1 calc R U . . .
H13H H 0.1357 0.4002 0.8868 0.236 Uiso 1 1 calc R U . . .
H13I H 0.1990 0.4477 0.8926 0.236 Uiso 1 1 calc R U . . .
C137 C 0.1025(8) 0.3119(7) 0.9634(10) 0.206(8) Uani 1 1 d . U . . .
H13J H 0.0952 0.3041 0.9232 0.309 Uiso 1 1 calc R U . . .
H13K H 0.0742 0.3347 0.9735 0.309 Uiso 1 1 calc R U . . .
H13L H 0.0952 0.2759 0.9811 0.309 Uiso 1 1 calc R U . . .
C138 C 0.2045(10) 0.2816(6) 1.0586(7) 0.189(7) Uani 1 1 d . U . . .
H13M H 0.1689 0.2526 1.0397 0.284 Uiso 1 1 calc R U . . .
H13N H 0.1966 0.2929 1.0950 0.284 Uiso 1 1 calc R U . . .
H13O H 0.2418 0.2662 1.0629 0.284 Uiso 1 1 calc R U . . .
C139 C 0.1015(4) -0.0114(3) 0.7678(4) 0.096(2) Uani 1 1 d . . . . .
C140 C 0.1112(3) -0.0077(3) 0.7114(3) 0.0860(18) Uani 1 1 d . . . . .
C141 C 0.1623(4) -0.0270(3) 0.7060(3) 0.0874(19) Uani 1 1 d . . . . .
C142 C 0.1870(4) -0.0462(3) 0.7562(4) 0.095(2) Uani 1 1 d . . . . .
C143 C 0.1478(5) -0.0379(3) 0.7948(3) 0.108(3) Uani 1 1 d . . . . .
C144 C 0.0498(6) 0.0057(6) 0.7903(8) 0.195(8) Uani 1 1 d . . . . .
H144 H 0.0287 0.0269 0.7633 0.293 Uiso 1 1 calc R U . . .
H14B H 0.0665 0.0298 0.8246 0.293 Uiso 1 1 calc R U . . .
H14C H 0.0203 -0.0283 0.7979 0.293 Uiso 1 1 calc R U . . .
C145 C 0.0742(6) 0.0182(5) 0.6676(6) 0.149(5) Uani 1 1 d . . . . .
H14D H 0.0510 -0.0114 0.6392 0.224 Uiso 1 1 calc R U . . .
H14E H 0.1022 0.0472 0.6510 0.224 Uiso 1 1 calc R U . . .
H14F H 0.0450 0.0358 0.6841 0.224 Uiso 1 1 calc R U . . .
C146 C 0.1881(7) -0.0286(5) 0.6520(5) 0.140(4) Uani 1 1 d . . . . .
H14G H 0.1652 -0.0627 0.6287 0.210 Uiso 1 1 calc R U . . .
H14H H 0.2322 -0.0295 0.6602 0.210 Uiso 1 1 calc R U . . .
H14I H 0.1836 0.0053 0.6326 0.210 Uiso 1 1 calc R U . . .
C147 C 0.2428(6) -0.0728(5) 0.7661(7) 0.150(5) Uani 1 1 d . . . . .
H14J H 0.2312 -0.1120 0.7495 0.225 Uiso 1 1 calc R U . . .
H14K H 0.2566 -0.0730 0.8059 0.225 Uiso 1 1 calc R U . . .
H14L H 0.2765 -0.0508 0.7494 0.225 Uiso 1 1 calc R U . . .
C148 C 0.1529(8) -0.0509(6) 0.8543(4) 0.172(6) Uani 1 1 d . . . . .
H14M H 0.1414 -0.0210 0.8756 0.258 Uiso 1 1 calc R U . . .
H14N H 0.1957 -0.0528 0.8687 0.258 Uiso 1 1 calc R U . . .
H14O H 0.1249 -0.0876 0.8575 0.258 Uiso 1 1 calc R U . . .
C149 C 0.9174(7) 0.6878(6) 0.7383(6) 0.169(7) Uani 1 1 d D . . . .
C150 C 0.9168(5) 0.6928(5) 0.6810(5) 0.127(3) Uani 1 1 d D U . . .
C151 C 0.8673(5) 0.7192(4) 0.6635(6) 0.129(4) Uani 1 1 d D . . . .
C152 C 0.8359(8) 0.7260(6) 0.7034(8) 0.154(5) Uani 1 1 d . . . . .
C153 C 0.8664(9) 0.7067(7) 0.7522(6) 0.169(7) Uani 1 1 d . . . . .
C154 C 0.9667(10) 0.6577(9) 0.7715(9) 0.281(15) Uani 1 1 d . . . . .
H15A H 1.0053 0.6860 0.7849 0.421 Uiso 1 1 calc R U . . .
H15B H 0.9752 0.6284 0.7471 0.421 Uiso 1 1 calc R U . . .
H15C H 0.9500 0.6401 0.8029 0.421 Uiso 1 1 calc R U . . .
C155 C 0.9574(7) 0.6769(7) 0.6433(8) 0.188(7) Uani 1 1 d D . . . .
H15D H 0.9317 0.6548 0.6104 0.281 Uiso 1 1 calc R U . . .
H15E H 0.9841 0.6539 0.6624 0.281 Uiso 1 1 calc R U . . .
H15F H 0.9834 0.7114 0.6323 0.281 Uiso 1 1 calc R U . . .
C156 C 0.8459(8) 0.7315(6) 0.6061(6) 0.170(6) Uani 1 1 d . U . . .
H15G H 0.8454 0.6990 0.5809 0.256 Uiso 1 1 calc R U . . .
H15H H 0.8741 0.7654 0.5965 0.256 Uiso 1 1 calc R U . . .
H15I H 0.8039 0.7382 0.6029 0.256 Uiso 1 1 calc R U . . .
C157 C 0.7770(10) 0.7529(7) 0.7062(11) 0.232(9) Uani 1 1 d . U . . .
H15J H 0.7417 0.7231 0.7122 0.349 Uiso 1 1 calc R U . . .
H15K H 0.7663 0.7698 0.6715 0.349 Uiso 1 1 calc R U . . .
H15L H 0.7871 0.7824 0.7368 0.349 Uiso 1 1 calc R U . . .
C158 C 0.8484(12) 0.7089(10) 0.8150(9) 0.252(11) Uani 1 1 d . U . . .
H15M H 0.8644 0.7474 0.8326 0.377 Uiso 1 1 calc R U . . .
H15N H 0.8671 0.6821 0.8370 0.377 Uiso 1 1 calc R U . . .
H15O H 0.8032 0.6985 0.8125 0.377 Uiso 1 1 calc R U . . .
C159 C 0.8539(5) 0.3266(7) 0.4844(7) 0.145(4) Uani 1 1 d . U . . .
C160 C 0.8327(5) 0.2796(6) 0.5104(6) 0.130(4) Uani 1 1 d . . . . .
C161 C 0.7706(5) 0.2562(4) 0.4871(5) 0.111(3) Uani 1 1 d . . . . .
C162 C 0.7515(5) 0.2905(5) 0.4428(5) 0.115(3) Uani 1 1 d . . . . .
C163 C 0.8081(8) 0.3370(5) 0.4422(6) 0.146(5) Uani 1 1 d . . . . .
C164 C 0.9186(7) 0.3673(12) 0.4996(11) 0.277(13) Uani 1 1 d . . . . .
H16A H 0.9217 0.3878 0.5354 0.415 Uiso 1 1 calc R U . . .
H16B H 0.9243 0.3946 0.4713 0.415 Uiso 1 1 calc R U . . .
H16C H 0.9507 0.3453 0.5016 0.415 Uiso 1 1 calc R U . . .
C165 C 0.8673(7) 0.2563(8) 0.5576(8) 0.202(8) Uani 1 1 d . . . . .
H16D H 0.8647 0.2158 0.5489 0.303 Uiso 1 1 calc R U . . .
H16E H 0.8491 0.2609 0.5908 0.303 Uiso 1 1 calc R U . . .
H16F H 0.9109 0.2768 0.5642 0.303 Uiso 1 1 calc R U . . .
C166 C 0.7301(6) 0.2028(4) 0.5026(6) 0.131(4) Uani 1 1 d . . . . .
H16G H 0.7305 0.1708 0.4771 0.197 Uiso 1 1 calc R U . . .
H16H H 0.6876 0.2077 0.5006 0.197 Uiso 1 1 calc R U . . .
H16I H 0.7460 0.1951 0.5404 0.197 Uiso 1 1 calc R U . . .
C167 C 0.6960(7) 0.2823(6) 0.4072(5) 0.145(4) Uani 1 1 d . . . . .
H16J H 0.6970 0.2575 0.3751 0.218 Uiso 1 1 calc R U . . .
H16K H 0.6894 0.3190 0.3951 0.218 Uiso 1 1 calc R U . . .
H16L H 0.6621 0.2644 0.4261 0.218 Uiso 1 1 calc R U . . .
C168 C 0.8084(8) 0.3838(7) 0.4054(7) 0.178(6) Uani 1 1 d . . . . .
H16M H 0.8488 0.4108 0.4134 0.267 Uiso 1 1 calc R U . . .
H16N H 0.7756 0.4033 0.4112 0.267 Uiso 1 1 calc R U . . .
H16O H 0.8011 0.3684 0.3669 0.267 Uiso 1 1 calc R U . . .
C169 C 0.4709(11) 0.9153(9) 0.5626(8) 0.196(8) Uani 1 1 d D . . . .
C170 C 0.5353(7) 0.4222(7) 0.0715(8) 0.164(5) Uani 1 1 d D . . . .
C171 C 1.0135(8) 0.8404(7) 0.9546(6) 0.193(7) Uani 1 1 d D U . . .
C172 C 0.3742(8) 0.8839(10) 0.8759(9) 0.188(7) Uani 1 1 d D . . . .
C173 C 0.0575(10) 0.8621(8) 0.3124(7) 0.177(6) Uani 1 1 d D . . . .
C174 C 0.0279(7) 0.1672(6) 0.4851(6) 0.168(5) Uani 1 1 d D U . . .
C177 C 0.5411(6) 0.4294(8) 0.6240(7) 0.175(6) Uani 1 1 d . . . . .
H177 H 0.5095 0.4393 0.5982 0.210 Uiso 1 1 calc R U . . .
C178 C 0.6474(6) 0.4334(7) 0.6543(6) 0.157(5) Uani 1 1 d . . . . .
H17A H 0.6333 0.4211 0.6886 0.236 Uiso 1 1 calc R U . . .
H17B H 0.6816 0.4671 0.6625 0.236 Uiso 1 1 calc R U . . .
H17C H 0.6616 0.4028 0.6366 0.236 Uiso 1 1 calc R U . . .
C179 C 0.6086(9) 0.4897(10) 0.5713(7) 0.229(10) Uani 1 1 d . . . . .
H17D H 0.6272 0.5280 0.5887 0.343 Uiso 1 1 calc R U . . .
H17E H 0.5694 0.4899 0.5472 0.343 Uiso 1 1 calc R U . . .
H17F H 0.6371 0.4776 0.5494 0.343 Uiso 1 1 calc R U . . .
N17 N 0.5958(4) 0.4474(5) 0.6169(4) 0.132(3) Uani 1 1 d . . . . .
O49 O 0.5239(4) 0.3996(5) 0.6617(4) 0.173(4) Uani 1 1 d . . . . .
C180 C 0.5367(5) 0.0960(6) 0.8714(6) 0.136(4) Uani 1 1 d D U . . .
H180 H 0.5036 0.0743 0.8870 0.163 Uiso 1 1 calc R U . . .
C181 C 0.6470(5) 0.1328(5) 0.8767(5) 0.129(3) Uani 1 1 d . . . . .
H18A H 0.6332 0.1513 0.8437 0.193 Uiso 1 1 calc R U . . .
H18B H 0.6714 0.1059 0.8670 0.193 Uiso 1 1 calc R U . . .
H18C H 0.6727 0.1617 0.9048 0.193 Uiso 1 1 calc R U . . .
C182 C 0.6106(8) 0.0851(8) 0.9525(6) 0.173(6) Uani 1 1 d . . . . .
H18D H 0.5755 0.0822 0.9724 0.260 Uiso 1 1 calc R U . . .
H18E H 0.6465 0.1130 0.9726 0.260 Uiso 1 1 calc R U . . .
H18F H 0.6212 0.0479 0.9496 0.260 Uiso 1 1 calc R U . . .
N18 N 0.5940(3) 0.1029(4) 0.8981(3) 0.109(2) Uani 1 1 d D U . . .
O50 O 0.5241(3) 0.1171(5) 0.8261(3) 0.154(3) Uani 1 1 d . . . . .
C183 C 0.5859(6) 0.8751(5) 0.0536(5) 0.123(3) Uani 1 1 d . . . . .
H183 H 0.6115 0.8664 0.0851 0.148 Uiso 1 1 calc R U . . .
C184 C 0.6660(5) 0.9582(5) 0.0499(5) 0.122(3) Uani 1 1 d . . . . .
H18G H 0.6844 0.9448 0.0843 0.183 Uiso 1 1 calc R U . . .
H18H H 0.6607 0.9969 0.0569 0.183 Uiso 1 1 calc R U . . .
H18I H 0.6934 0.9582 0.0224 0.183 Uiso 1 1 calc R U . . .
C185 C 0.5677(7) 0.9387(7) -0.0166(6) 0.180(7) Uani 1 1 d . . . . .
H18J H 0.5245 0.9302 -0.0104 0.271 Uiso 1 1 calc R U . . .
H18K H 0.5706 0.9180 -0.0508 0.271 Uiso 1 1 calc R U . . .
H18L H 0.5817 0.9796 -0.0195 0.271 Uiso 1 1 calc R U . . .
N19 N 0.6065(4) 0.9211(4) 0.0294(4) 0.119(2) Uani 1 1 d . . . . .
O51 O 0.5338(4) 0.8416(4) 0.0373(4) 0.143(3) Uani 1 1 d . . . . .
C186 C 0.3196(9) 0.8719(8) 0.6452(9) 0.169(6) Uani 1 1 d . U . . .
C187 C 0.3612(13) 0.8496(8) 0.6853(9) 0.230(9) Uani 1 1 d . U . . .
H18M H 0.3505 0.8079 0.6808 0.346 Uiso 1 1 calc R U . . .
H18N H 0.3570 0.8620 0.7227 0.346 Uiso 1 1 calc R U . . .
H18O H 0.4041 0.8637 0.6796 0.346 Uiso 1 1 calc R U . . .
N20 N 0.2811(8) 0.8868(8) 0.6132(8) 0.220(8) Uani 1 1 d . U . . .
C188 C 0.9568(8) 0.1660(6) 0.2575(6) 0.141(4) Uani 1 1 d D U . . .
C189 C 1.0137(8) 0.1507(5) 0.2685(6) 0.155(5) Uani 1 1 d . . . . .
H18P H 1.0125 0.1238 0.2975 0.233 Uiso 1 1 calc R U . . .
H18Q H 1.0467 0.1847 0.2809 0.233 Uiso 1 1 calc R U . . .
H18R H 1.0219 0.1327 0.2349 0.233 Uiso 1 1 calc R U . . .
N21 N 0.9032(10) 0.1718(8) 0.2526(8) 0.233(7) Uani 1 1 d D U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Rh1 O2 76.4(2) . . ?
O1 Rh1 N4 85.87(19) . . ?
O2 Rh1 N4 84.6(2) . . ?
O1 Rh1 C45 130.2(2) . . ?
O2 Rh1 C45 94.5(3) . . ?
N4 Rh1 C45 142.8(2) . . ?
O1 Rh1 C47 98.1(2) . . ?
O2 Rh1 C47 149.5(3) . . ?
N4 Rh1 C47 125.3(3) . . ?
C45 Rh1 C47 65.8(3) . . ?
O1 Rh1 C49 162.9(2) . . ?
O2 Rh1 C49 114.1(3) . . ?
N4 Rh1 C49 107.9(3) . . ?
C45 Rh1 C49 39.3(3) . . ?
C47 Rh1 C49 65.9(3) . . ?
O1 Rh1 C46 98.3(2) . . ?
O2 Rh1 C46 111.2(3) . . ?
N4 Rh1 C46 164.1(3) . . ?
C45 Rh1 C46 39.2(3) . . ?
C47 Rh1 C46 39.1(3) . . ?
C49 Rh1 C46 65.7(3) . . ?
O1 Rh1 C48 129.9(3) . . ?
O2 Rh1 C48 153.4(3) . . ?
N4 Rh1 C48 99.6(3) . . ?
C45 Rh1 C48 66.3(3) . . ?
C47 Rh1 C48 39.4(3) . . ?
C49 Rh1 C48 39.5(3) . . ?
C46 Rh1 C48 65.9(3) . . ?
O4 Rh2 C57 145.4(8) . . ?
O4 Rh2 C58 105.9(5) . . ?
C57 Rh2 C58 40.9(7) . . ?
O4 Rh2 C55 118.2(3) . . ?
C57 Rh2 C55 65.0(6) . . ?
C58 Rh2 C55 67.6(6) . . ?
O4 Rh2 N8 85.1(3) . . ?
C57 Rh2 N8 97.6(5) . . ?
C58 Rh2 N8 110.3(5) . . ?
C55 Rh2 N8 156.6(4) . . ?
O4 Rh2 C56 158.0(4) . . ?
C57 Rh2 C56 37.6(7) . . ?
C58 Rh2 C56 67.3(8) . . ?
C55 Rh2 C56 39.9(4) . . ?
N8 Rh2 C56 116.9(4) . . ?
O4 Rh2 C59 95.0(4) . . ?
C57 Rh2 C59 65.6(5) . . ?
C58 Rh2 C59 40.1(4) . . ?
C55 Rh2 C59 39.2(5) . . ?
N8 Rh2 C59 149.2(5) . . ?
C56 Rh2 C59 66.0(6) . . ?
O4 Rh2 O3 76.5(2) . . ?
C57 Rh2 O3 138.0(8) . . ?
C58 Rh2 O3 164.3(4) . . ?
C55 Rh2 O3 97.5(5) . . ?
N8 Rh2 O3 85.2(3) . . ?
C56 Rh2 O3 104.5(7) . . ?
C59 Rh2 O3 124.9(4) . . ?
C68 Rh3 O6 103.6(4) . . ?
C68 Rh3 O5 158.3(5) . . ?
O6 Rh3 O5 77.0(2) . . ?
C68 Rh3 N1 116.4(5) . . ?
O6 Rh3 N1 85.4(2) . . ?
O5 Rh3 N1 85.3(2) . . ?
C68 Rh3 C69 40.3(5) . . ?
O6 Rh3 C69 140.2(4) . . ?
O5 Rh3 C69 142.8(4) . . ?
N1 Rh3 C69 97.1(4) . . ?
C68 Rh3 C65 66.2(4) . . ?
O6 Rh3 C65 162.3(3) . . ?
O5 Rh3 C65 106.9(3) . . ?
N1 Rh3 C65 112.0(3) . . ?
C69 Rh3 C65 38.0(4) . . ?
C68 Rh3 C67 39.3(5) . . ?
O6 Rh3 C67 97.1(4) . . ?
O5 Rh3 C67 119.0(4) . . ?
N1 Rh3 C67 155.6(4) . . ?
C69 Rh3 C67 65.7(5) . . ?
C65 Rh3 C67 65.7(4) . . ?
C68 Rh3 C66 64.9(5) . . ?
O6 Rh3 C66 123.5(3) . . ?
O5 Rh3 C66 96.3(3) . . ?
N1 Rh3 C66 150.8(3) . . ?
C69 Rh3 C66 64.4(4) . . ?
C65 Rh3 C66 39.6(3) . . ?
C67 Rh3 C66 37.8(4) . . ?
C75 Rh4 O7 134.8(7) . . ?
C75 Rh4 C79 41.5(8) . . ?
O7 Rh4 C79 99.6(5) . . ?
C75 Rh4 N5 139.3(7) . . ?
O7 Rh4 N5 85.4(2) . . ?
C79 Rh4 N5 161.2(6) . . ?
C75 Rh4 O8 96.8(5) . . ?
O7 Rh4 O8 77.0(2) . . ?
C79 Rh4 O8 113.6(6) . . ?
N5 Rh4 O8 85.1(2) . . ?
C75 Rh4 C78 64.5(7) . . ?
O7 Rh4 C78 99.4(5) . . ?
C79 Rh4 C78 37.2(7) . . ?
N5 Rh4 C78 124.2(6) . . ?
O8 Rh4 C78 150.3(6) . . ?
O7 Rh4 C78' 107.6(5) . . ?
N5 Rh4 C78' 114.9(5) . . ?
O8 Rh4 C78' 159.5(4) . . ?
C75 Rh4 C76 39.2(7) . . ?
O7 Rh4 C76 163.9(5) . . ?
C79 Rh4 C76 67.3(7) . . ?
N5 Rh4 C76 104.1(5) . . ?
O8 Rh4 C76 116.3(5) . . ?
C78 Rh4 C76 64.5(7) . . ?
O7 Rh4 C79' 97.4(4) . . ?
N5 Rh4 C79' 152.4(5) . . ?
O8 Rh4 C79' 122.3(4) . . ?
C78' Rh4 C79' 38.2(3) . . ?
O7 Rh4 C77' 143.4(6) . . ?
N5 Rh4 C77' 98.3(4) . . ?
O8 Rh4 C77' 139.5(6) . . ?
C78' Rh4 C77' 38.1(3) . . ?
C79' Rh4 C77' 63.7(4) . . ?
O7 Rh4 C75' 121.2(4) . . ?
N5 Rh4 C75' 153.1(4) . . ?
O8 Rh4 C75' 96.6(4) . . ?
C78' Rh4 C75' 63.6(4) . . ?
C79' Rh4 C75' 37.9(3) . . ?
C77' Rh4 C75' 63.4(4) . . ?
C75 Rh4 C77 65.9(7) . . ?
O7 Rh4 C77 127.2(5) . . ?
C79 Rh4 C77 65.3(7) . . ?
N5 Rh4 C77 97.2(5) . . ?
O8 Rh4 C77 155.8(5) . . ?
C78 Rh4 C77 37.8(7) . . ?
C76 Rh4 C77 39.7(6) . . ?
C132 Rh5 N9 157.9(4) . . ?
C132 Rh5 O13 115.5(4) . . ?
N9 Rh5 O13 86.4(2) . . ?
C132 Rh5 C131 40.2(5) . . ?
N9 Rh5 C131 118.0(4) . . ?
O13 Rh5 C131 155.6(3) . . ?
C132 Rh5 O14 100.7(5) . . ?
N9 Rh5 O14 86.7(3) . . ?
O13 Rh5 O14 77.29(19) . . ?
C131 Rh5 O14 103.2(4) . . ?
C132 Rh5 C133 38.4(6) . . ?
N9 Rh5 C133 142.6(6) . . ?
O13 Rh5 C133 95.1(4) . . ?
C131 Rh5 C133 65.6(6) . . ?
O14 Rh5 C133 130.1(6) . . ?
C132 Rh5 C129 64.6(6) . . ?
N9 Rh5 C129 106.5(4) . . ?
O13 Rh5 C129 109.3(3) . . ?
C131 Rh5 C129 65.2(5) . . ?
O14 Rh5 C129 165.3(4) . . ?
C133 Rh5 C129 38.1(5) . . ?
C132 Rh5 C130 64.7(4) . . ?
N9 Rh5 C130 95.2(3) . . ?
O13 Rh5 C130 147.8(3) . . ?
C131 Rh5 C130 37.6(4) . . ?
O14 Rh5 C130 134.9(3) . . ?
C133 Rh5 C130 64.7(4) . . ?
C129 Rh5 C130 39.5(4) . . ?
O16 Rh6 C139 111.8(3) . . ?
O16 Rh6 C141 154.6(3) . . ?
C139 Rh6 C141 64.7(3) . . ?
O16 Rh6 O15 77.35(16) . . ?
C139 Rh6 O15 101.2(3) . . ?
C141 Rh6 O15 127.9(3) . . ?
O16 Rh6 C142 115.8(3) . . ?
C139 Rh6 C142 65.9(3) . . ?
C141 Rh6 C142 38.8(3) . . ?
O15 Rh6 C142 163.8(2) . . ?
O16 Rh6 N13 83.92(19) . . ?
C139 Rh6 N13 164.0(3) . . ?
C141 Rh6 N13 99.8(3) . . ?
O15 Rh6 N13 85.00(19) . . ?
C142 Rh6 N13 105.1(3) . . ?
O16 Rh6 C143 96.3(2) . . ?
C139 Rh6 C143 39.2(4) . . ?
C141 Rh6 C143 64.6(3) . . ?
O15 Rh6 C143 134.7(4) . . ?
C142 Rh6 C143 39.1(4) . . ?
N13 Rh6 C143 139.6(4) . . ?
O16 Rh6 C140 150.6(3) . . ?
C139 Rh6 C140 39.5(3) . . ?
C141 Rh6 C140 36.8(3) . . ?
O15 Rh6 C140 99.7(2) . . ?
C142 Rh6 C140 64.2(3) . . ?
N13 Rh6 C140 125.2(3) . . ?
C143 Rh6 C140 64.7(3) . . ?
C153 Rh7 O18 156.1(7) . . ?
C153 Rh7 O17 126.2(7) . . ?
O18 Rh7 O17 76.9(2) . . ?
C153 Rh7 N12 100.6(5) . . ?
O18 Rh7 N12 85.5(2) . . ?
O17 Rh7 N12 86.1(3) . . ?
C153 Rh7 C149 39.0(7) . . ?
O18 Rh7 C149 142.7(6) . . ?
O17 Rh7 C149 99.5(5) . . ?
N12 Rh7 C149 131.7(5) . . ?
C153 Rh7 C150 65.4(5) . . ?
O18 Rh7 C150 105.4(4) . . ?
O17 Rh7 C150 105.8(4) . . ?
N12 Rh7 C150 165.3(4) . . ?
C149 Rh7 C150 39.0(4) . . ?
C153 Rh7 C152 39.6(7) . . ?
O18 Rh7 C152 116.6(5) . . ?
O17 Rh7 C152 164.4(5) . . ?
N12 Rh7 C152 102.1(5) . . ?
C149 Rh7 C152 65.1(6) . . ?
C150 Rh7 C152 64.3(6) . . ?
C153 Rh7 C151 62.7(6) . . ?
O18 Rh7 C151 96.0(4) . . ?
O17 Rh7 C151 141.0(4) . . ?
N12 Rh7 C151 132.1(4) . . ?
C149 Rh7 C151 63.3(5) . . ?
C150 Rh7 C151 38.5(4) . . ?
C152 Rh7 C151 35.7(5) . . ?
O19 Rh8 N16 86.6(3) . . ?
O19 Rh8 O20 77.2(2) . . ?
N16 Rh8 O20 86.6(3) . . ?
O19 Rh8 C159 115.4(5) . . ?
N16 Rh8 C159 157.5(5) . . ?
O20 Rh8 C159 102.2(4) . . ?
O19 Rh8 C161 151.9(3) . . ?
N16 Rh8 C161 95.0(3) . . ?
O20 Rh8 C161 130.9(3) . . ?
C159 Rh8 C161 63.6(5) . . ?
O19 Rh8 C163 95.3(4) . . ?
N16 Rh8 C163 140.8(5) . . ?
O20 Rh8 C163 132.1(5) . . ?
C159 Rh8 C163 38.6(6) . . ?
C161 Rh8 C163 66.2(4) . . ?
O19 Rh8 C160 152.1(4) . . ?
N16 Rh8 C160 121.3(4) . . ?
O20 Rh8 C160 101.4(4) . . ?
C159 Rh8 C160 37.0(5) . . ?
C161 Rh8 C160 38.2(4) . . ?
C163 Rh8 C160 64.6(6) . . ?
O19 Rh8 C162 112.5(4) . . ?
N16 Rh8 C162 102.7(4) . . ?
O20 Rh8 C162 166.7(3) . . ?
C159 Rh8 C162 65.8(5) . . ?
C161 Rh8 C162 39.8(4) . . ?
C163 Rh8 C162 40.8(5) . . ?
C160 Rh8 C162 65.6(5) . . ?
C18 N2 C22 117.5(6) . . ?
C18 N2 H2 121.2 . . ?
C22 N2 H2 121.2 . . ?
C21 N3 C23 114.9(6) . . ?
C21 N3 H3 122.5 . . ?
C23 N3 H3 122.5 . . ?
N2 C18 C19 107.7(6) . . ?
N2 C18 C15 123.3(7) . . ?
C19 C18 C15 128.9(7) . . ?
C18 C19 C20 110.4(7) . . ?
C18 C19 C23 138.0(6) . . ?
C20 C19 C23 111.6(6) . . ?
C21 C20 C19 110.5(7) . . ?
C21 C20 C22 135.4(6) . . ?
C19 C20 C22 114.1(6) . . ?
C20 C21 N3 107.3(6) . . ?
C20 C21 C26 130.3(7) . . ?
N3 C21 C26 122.2(7) . . ?
O9 C22 N2 125.3(8) . . ?
O9 C22 C20 144.3(8) . . ?
N2 C22 C20 90.1(5) . . ?
O10 C23 N3 123.6(7) . . ?
O10 C23 C19 140.6(6) . . ?
N3 C23 C19 95.5(5) . . ?
C22' S1' C20' 90.1(5) . . ?
C23' S2' C19' 95.5(5) . . ?
C22' C18' C19' 107.7(6) . . ?
C22' C18' C15 123.3(7) . . ?
C19' C18' C15 128.9(7) . . ?
C18' C19' C20' 110.4(7) . . ?
C18' C19' S2' 138.0(6) . . ?
C20' C19' S2' 111.6(6) . . ?
C21' C20' C19' 110.5(7) . . ?
C21' C20' S1' 135.4(6) . . ?
C19' C20' S1' 114.1(6) . . ?
C20' C21' C23' 107.3(6) . . ?
C20' C21' C26 130.3(7) . . ?
C23' C21' C26 122.2(7) . . ?
C18' C22' S1' 117.5(6) . . ?
C18' C22' H22' 121.2 . . ?
S1' C22' H22' 121.2 . . ?
C21' C23' S2' 114.9(6) . . ?
C21' C23' H23' 122.5 . . ?
S2' C23' H23' 122.5 . . ?
C102 N10 C106 119.0(7) . . ?
C102 N10 H10 120.5 . . ?
C106 N10 H10 120.5 . . ?
C105 N11 C107 112.8(7) . . ?
C105 N11 H11 123.6 . . ?
C107 N11 H11 123.6 . . ?
C103 C102 N10 106.5(7) . . ?
C103 C102 C99 131.5(8) . . ?
N10 C102 C99 121.9(8) . . ?
C104 C103 C102 112.0(7) . . ?
C104 C103 C107 112.6(7) . . ?
C102 C103 C107 134.9(7) . . ?
C105 C104 C103 110.9(7) . . ?
C105 C104 C106 134.1(7) . . ?
C103 C104 C106 115.0(7) . . ?
C104 C105 N11 108.8(8) . . ?
C104 C105 C110 130.5(8) . . ?
N11 C105 C110 120.7(8) . . ?
O21 C106 N10 130.5(10) . . ?
O21 C106 C104 142.0(10) . . ?
N10 C106 C104 87.4(5) . . ?
O22 C107 C103 141.3(8) . . ?
O22 C107 N11 117.9(8) . . ?
C103 C107 N11 94.1(5) . . ?
C206 S3' C204 87.4(5) . . ?
C203 S4' C207 94.1(5) . . ?
C203 C202 C206 106.5(7) . . ?
C203 C202 C99 131.5(8) . . ?
C206 C202 C99 121.9(8) . . ?
C204 C203 C202 112.0(7) . . ?
C204 C203 S4' 112.6(7) . . ?
C202 C203 S4' 134.9(7) . . ?
C205 C204 C203 110.9(7) . . ?
C205 C204 S3' 134.1(7) . . ?
C203 C204 S3' 115.0(7) . . ?
C204 C205 C207 108.8(8) . . ?
C204 C205 C110 130.5(8) . . ?
C207 C205 C110 120.7(8) . . ?
C202 C206 S3' 119.0(7) . . ?
C202 C206 H206 120.5 . . ?
S3' C206 H206 120.5 . . ?
C205 C207 S4' 112.8(7) . . ?
C205 C207 H207 123.6 . . ?
S4' C207 H207 123.6 . . ?
C76 C75 C79 109.4(15) . . ?
C76 C75 C80 128(2) . . ?
C79 C75 C80 122(2) . . ?
C76 C75 Rh4 73.6(10) . . ?
C79 C75 Rh4 71.2(9) . . ?
C80 C75 Rh4 123.6(14) . . ?
C81 C76 C75 124.5(18) . . ?
C81 C76 C77 129.2(19) . . ?
C75 C76 C77 106.2(16) . . ?
C81 C76 Rh4 129.5(13) . . ?
C75 C76 Rh4 67.2(10) . . ?
C77 C76 Rh4 71.0(9) . . ?
C78 C77 C76 105.9(15) . . ?
C78 C77 C82 128.9(18) . . ?
C76 C77 C82 125.2(19) . . ?
C78 C77 Rh4 69.9(10) . . ?
C76 C77 Rh4 69.3(9) . . ?
C82 C77 Rh4 127.1(12) . . ?
C79 C78 C77 114.1(16) . . ?
C79 C78 C83 121.3(19) . . ?
C77 C78 C83 124.5(19) . . ?
C79 C78 Rh4 70.4(10) . . ?
C77 C78 Rh4 72.2(9) . . ?
C83 C78 Rh4 123.9(13) . . ?
C78 C79 C75 104.4(15) . . ?
C78 C79 C84 128(2) . . ?
C75 C79 C84 128(2) . . ?
C78 C79 Rh4 72.4(9) . . ?
C75 C79 Rh4 67.3(10) . . ?
C84 C79 Rh4 124.2(13) . . ?
C75 C80 H80A 109.5 . . ?
C75 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C75 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C76 C81 H81A 109.5 . . ?
C76 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C76 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C77 C82 H82A 109.5 . . ?
C77 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C77 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C78 C83 H83A 109.5 . . ?
C78 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C78 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C79 C84 H84A 109.5 . . ?
C79 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C79 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C79' C75' C76' 108.0 . . ?
C79' C75' C80' 126.0 . . ?
C76' C75' C80' 126.0 . . ?
C79' C75' Rh4 70.4(5) . . ?
C76' C75' Rh4 71.3(4) . . ?
C80' C75' Rh4 124.0(5) . . ?
C75' C76' C77' 108.0 . . ?
C75' C76' C81' 126.0 . . ?
C77' C76' C81' 126.0 . . ?
C75' C76' Rh4 71.0(4) . . ?
C77' C76' Rh4 70.5(5) . . ?
C81' C76' Rh4 124.1(5) . . ?
C78' C77' C76' 108.0 . . ?
C78' C77' C82' 126.0 . . ?
C76' C77' C82' 126.0 . . ?
C78' C77' Rh4 70.4(5) . . ?
C76' C77' Rh4 71.7(5) . . ?
C82' C77' Rh4 123.5(4) . . ?
C77' C78' C79' 108.0 . . ?
C77' C78' C83' 126.0 . . ?
C79' C78' C83' 126.0 . . ?
C77' C78' Rh4 71.5(5) . . ?
C79' C78' Rh4 71.2(5) . . ?
C83' C78' Rh4 123.0(4) . . ?
C75' C79' C78' 108.0 . . ?
C75' C79' C84' 126.0 . . ?
C78' C79' C84' 126.0 . . ?
C75' C79' Rh4 71.7(5) . . ?
C78' C79' Rh4 70.6(5) . . ?
C84' C79' Rh4 123.3(4) . . ?
C75' C80' H80D 109.5 . . ?
C75' C80' H80E 109.5 . . ?
H80D C80' H80E 109.5 . . ?
C75' C80' H80F 109.5 . . ?
H80D C80' H80F 109.5 . . ?
H80E C80' H80F 109.5 . . ?
C76' C81' H81D 109.5 . . ?
C76' C81' H81E 109.5 . . ?
H81D C81' H81E 109.5 . . ?
C76' C81' H81F 109.5 . . ?
H81D C81' H81F 109.5 . . ?
H81E C81' H81F 109.5 . . ?
C77' C82' H82D 109.5 . . ?
C77' C82' H82E 109.5 . . ?
H82D C82' H82E 109.5 . . ?
C77' C82' H82F 109.5 . . ?
H82D C82' H82F 109.5 . . ?
H82E C82' H82F 109.5 . . ?
C78' C83' H83D 109.5 . . ?
C78' C83' H83E 109.5 . . ?
H83D C83' H83E 109.5 . . ?
C78' C83' H83F 109.5 . . ?
H83D C83' H83F 109.5 . . ?
H83E C83' H83F 109.5 . . ?
C79' C84' H84D 109.5 . . ?
C79' C84' H84E 109.5 . . ?
H84D C84' H84E 109.5 . . ?
C79' C84' H84F 109.5 . . ?
H84D C84' H84F 109.5 . . ?
H84E C84' H84F 109.5 . . ?
C17 N1 C13 116.4(6) . . ?
C17 N1 Rh3 125.8(5) . . ?
C13 N1 Rh3 117.3(5) . . ?
C24 N4 C28 118.1(6) . . ?
C24 N4 Rh1 120.6(5) . . ?
C28 N4 Rh1 121.1(4) . . ?
C29 N5 C33 116.1(6) . . ?
C29 N5 Rh4 122.1(5) . . ?
C33 N5 Rh4 121.8(5) . . ?
C34 N6 C38 112.6(7) . . ?
C34 N6 H6 123.7 . . ?
C38 N6 H6 123.7 . . ?
C37 N7 C39 113.0(8) . . ?
C37 N7 H7 123.5 . . ?
C39 N7 H7 123.5 . . ?
C44 N8 C40 117.8(8) . . ?
C44 N8 Rh2 123.0(7) . . ?
C40 N8 Rh2 119.0(8) . . ?
C97 N9 C101 118.3(8) . . ?
C97 N9 Rh5 121.0(6) . . ?
C101 N9 Rh5 120.5(6) . . ?
C108 N12 C112 116.8(8) . . ?
C108 N12 Rh7 123.6(6) . . ?
C112 N12 Rh7 119.6(6) . . ?
C117 N13 C113 118.5(6) . . ?
C117 N13 Rh6 120.5(4) . . ?
C113 N13 Rh6 120.8(5) . . ?
C118 N14 C122 111.6(7) . . ?
C118 N14 H14 124.2 . . ?
C122 N14 H14 124.2 . . ?
C121 N15 C123 111.4(7) . . ?
C121 N15 H15 124.3 . . ?
C123 N15 H15 124.3 . . ?
C124 N16 C128 119.6(7) . . ?
C124 N16 Rh8 119.7(7) . . ?
C128 N16 Rh8 120.7(6) . . ?
C1 O1 Rh1 115.9(4) . . ?
C2 O2 Rh1 116.1(5) . . ?
C4 O3 Rh2 114.7(7) . . ?
C5 O4 Rh2 116.2(6) . . ?
C7 O5 Rh3 116.0(4) . . ?
C8 O6 Rh3 116.5(5) . . ?
C10 O7 Rh4 115.7(4) . . ?
C11 O8 Rh4 115.2(4) . . ?
C85 O13 Rh5 115.2(5) . . ?
C86 O14 Rh5 114.3(5) . . ?
C88 O15 Rh6 115.3(4) . . ?
C89 O16 Rh6 115.7(4) . . ?
C91 O17 Rh7 116.0(5) . . ?
C92 O18 Rh7 115.2(5) . . ?
C94 O19 Rh8 115.5(5) . . ?
C95 O20 Rh8 115.6(5) . . ?
O25 S1 O26 122.9(8) . . ?
O25 S1 O27 109.5(8) . . ?
O26 S1 O27 108.3(7) . . ?
O25 S1 C169 103.8(8) . . ?
O26 S1 C169 106.2(8) . . ?
O27 S1 C169 104.5(10) . . ?
O29 S2 O28 127.3(9) . . ?
O29 S2 O30 110.0(9) . . ?
O28 S2 O30 108.5(9) . . ?
O29 S2 C170 104.1(8) . . ?
O28 S2 C170 105.2(9) . . ?
O30 S2 C170 97.4(9) . . ?
O31 S3 O32 113.7(8) . . ?
O31 S3 O33 117.8(7) . . ?
O32 S3 O33 120.6(8) . . ?
O31 S3 C171 104.4(8) . . ?
O32 S3 C171 96.3(7) . . ?
O33 S3 C171 97.9(9) . . ?
O36 S4 O35 119.8(13) . . ?
O36 S4 O34 112.0(12) . . ?
O35 S4 O34 117.9(6) . . ?
O36 S4 C172 95.1(12) . . ?
O35 S4 C172 105.5(9) . . ?
O34 S4 C172 101.4(9) . . ?
O37 S5 O39 129.8(14) . . ?
O37 S5 O38 108.5(10) . . ?
O39 S5 O38 109.7(13) . . ?
O37 S5 C173 106.9(13) . . ?
O39 S5 C173 92.4(11) . . ?
O38 S5 C173 106.3(11) . . ?
O40 S6 O41 119.9(11) . . ?
O40 S6 O42 122.1(14) . . ?
O41 S6 O42 114.9(11) . . ?
O40 S6 C174 104.8(9) . . ?
O41 S6 C174 97.0(9) . . ?
O42 S6 C174 84.9(12) . . ?
O1 C1 C6 124.7(6) . . ?
O1 C1 C2 115.7(6) . . ?
C6 C1 C2 119.6(6) . . ?
O2 C2 C3 124.5(7) . . ?
O2 C2 C1 115.5(6) . . ?
C3 C2 C1 119.9(8) . . ?
C4 C3 C2 119.9(8) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
O3 C4 C3 123.6(9) . . ?
O3 C4 C5 116.1(9) . . ?
C3 C4 C5 120.3(7) . . ?
O4 C5 C6 122.5(8) . . ?
O4 C5 C4 116.4(7) . . ?
C6 C5 C4 121.1(8) . . ?
C1 C6 C5 119.3(7) . . ?
C1 C6 H6A 120.4 . . ?
C5 C6 H6A 120.4 . . ?
O5 C7 C12 124.5(6) . . ?
O5 C7 C8 116.3(6) . . ?
C12 C7 C8 119.2(6) . . ?
O6 C8 C9 125.3(7) . . ?
O6 C8 C7 114.2(6) . . ?
C9 C8 C7 120.5(7) . . ?
C10 C9 C8 119.1(7) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
O7 C10 C9 123.6(7) . . ?
O7 C10 C11 115.5(7) . . ?
C9 C10 C11 120.8(7) . . ?
O8 C11 C12 122.6(7) . . ?
O8 C11 C10 116.3(6) . . ?
C12 C11 C10 121.1(7) . . ?
C11 C12 C7 119.4(7) . . ?
C11 C12 H12 120.3 . . ?
C7 C12 H12 120.3 . . ?
N1 C13 C14 122.6(8) . . ?
N1 C13 H13 118.7 . . ?
C14 C13 H13 118.7 . . ?
C13 C14 C15 119.7(7) . . ?
C13 C14 H14A 120.1 . . ?
C15 C14 H14A 120.1 . . ?
C16 C15 C14 117.4(6) . . ?
C16 C15 C18 123.1(7) . . ?
C14 C15 C18 119.4(7) . . ?
C16 C15 C18' 123.1(7) . . ?
C14 C15 C18' 119.4(7) . . ?
C17 C16 C15 118.8(8) . . ?
C17 C16 H16 120.6 . . ?
C15 C16 H16 120.6 . . ?
N1 C17 C16 125.0(8) . . ?
N1 C17 H17 117.5 . . ?
C16 C17 H17 117.5 . . ?
N4 C24 C25 123.6(7) . . ?
N4 C24 H24 118.2 . . ?
C25 C24 H24 118.2 . . ?
C24 C25 C26 118.6(7) . . ?
C24 C25 H25 120.7 . . ?
C26 C25 H25 120.7 . . ?
C27 C26 C25 118.1(6) . . ?
C27 C26 C21 121.5(7) . . ?
C25 C26 C21 120.4(6) . . ?
C27 C26 C21' 121.5(7) . . ?
C25 C26 C21' 120.4(6) . . ?
C26 C27 C28 118.9(7) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
N4 C28 C27 122.7(7) . . ?
N4 C28 H28 118.6 . . ?
C27 C28 H28 118.6 . . ?
N5 C29 C30 123.9(7) . . ?
N5 C29 H29 118.0 . . ?
C30 C29 H29 118.0 . . ?
C29 C30 C31 118.7(7) . . ?
C29 C30 H30 120.7 . . ?
C31 C30 H30 120.7 . . ?
C32 C31 C30 118.7(6) . . ?
C32 C31 C34 121.3(7) . . ?
C30 C31 C34 120.0(7) . . ?
C33 C32 C31 119.4(7) . . ?
C33 C32 H32 120.3 . . ?
C31 C32 H32 120.3 . . ?
N5 C33 C32 123.1(8) . . ?
N5 C33 H33 118.4 . . ?
C32 C33 H33 118.4 . . ?
N6 C34 C35 106.2(6) . . ?
N6 C34 C31 123.6(7) . . ?
C35 C34 C31 130.3(7) . . ?
C34 C35 C36 109.0(7) . . ?
C34 C35 C39 141.3(7) . . ?
C36 C35 C39 109.6(7) . . ?
C37 C36 C35 108.1(8) . . ?
C37 C36 C38 141.6(7) . . ?
C35 C36 C38 110.2(7) . . ?
N7 C37 C36 107.9(7) . . ?
N7 C37 C42 121.4(9) . . ?
C36 C37 C42 130.7(8) . . ?
O11 C38 C36 136.9(8) . . ?
O11 C38 N6 121.1(8) . . ?
C36 C38 N6 101.9(6) . . ?
O12 C39 N7 124.5(9) . . ?
O12 C39 C35 134.1(7) . . ?
N7 C39 C35 101.4(7) . . ?
N8 C40 C41 120.5(11) . . ?
N8 C40 H40 119.7 . . ?
C41 C40 H40 119.7 . . ?
C42 C41 C40 121.5(10) . . ?
C42 C41 H41 119.3 . . ?
C40 C41 H41 119.3 . . ?
C43 C42 C41 116.0(8) . . ?
C43 C42 C37 121.4(10) . . ?
C41 C42 C37 122.5(10) . . ?
C42 C43 C44 120.6(11) . . ?
C42 C43 H43 119.7 . . ?
C44 C43 H43 119.7 . . ?
N8 C44 C43 123.6(10) . . ?
N8 C44 H44 118.2 . . ?
C43 C44 H44 118.2 . . ?
C46 C45 C49 107.9(7) . . ?
C46 C45 C50 126.1(7) . . ?
C49 C45 C50 126.0(7) . . ?
C46 C45 Rh1 70.7(4) . . ?
C49 C45 Rh1 70.5(4) . . ?
C50 C45 Rh1 123.7(6) . . ?
C47 C46 C45 108.3(7) . . ?
C47 C46 C51 125.6(8) . . ?
C45 C46 C51 126.1(8) . . ?
C47 C46 Rh1 70.3(4) . . ?
C45 C46 Rh1 70.1(4) . . ?
C51 C46 Rh1 123.5(6) . . ?
C46 C47 C48 108.6(7) . . ?
C46 C47 C52 124.4(8) . . ?
C48 C47 C52 126.9(9) . . ?
C46 C47 Rh1 70.6(5) . . ?
C48 C47 Rh1 70.8(5) . . ?
C52 C47 Rh1 126.1(5) . . ?
C47 C48 C49 106.8(7) . . ?
C47 C48 C53 125.8(9) . . ?
C49 C48 C53 127.3(9) . . ?
C47 C48 Rh1 69.8(5) . . ?
C49 C48 Rh1 69.8(5) . . ?
C53 C48 Rh1 128.1(6) . . ?
C45 C49 C48 108.4(7) . . ?
C45 C49 C54 126.2(8) . . ?
C48 C49 C54 125.3(8) . . ?
C45 C49 Rh1 70.1(4) . . ?
C48 C49 Rh1 70.7(4) . . ?
C54 C49 Rh1 127.2(6) . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C48 C53 H53A 109.5 . . ?
C48 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C48 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C49 C54 H54A 109.5 . . ?
C49 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C49 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C59 C55 C56 107.6(15) . . ?
C59 C55 C60 126.9(11) . . ?
C56 C55 C60 125.2(17) . . ?
C59 C55 Rh2 70.9(7) . . ?
C56 C55 Rh2 70.4(6) . . ?
C60 C55 Rh2 128.6(11) . . ?
C57 C56 C61 127.4(16) . . ?
C57 C56 C55 107.5(17) . . ?
C61 C56 C55 125(2) . . ?
C57 C56 Rh2 70.1(8) . . ?
C61 C56 Rh2 129.4(14) . . ?
C55 C56 Rh2 69.7(6) . . ?
C56 C57 C58 112.1(14) . . ?
C56 C57 C62 125(2) . . ?
C58 C57 C62 123(2) . . ?
C56 C57 Rh2 72.3(9) . . ?
C58 C57 Rh2 70.1(8) . . ?
C62 C57 Rh2 125.4(10) . . ?
C59 C58 C57 103.1(15) . . ?
C59 C58 C63 126.1(15) . . ?
C57 C58 C63 130.7(15) . . ?
C59 C58 Rh2 70.6(7) . . ?
C57 C58 Rh2 69.0(9) . . ?
C63 C58 Rh2 126.7(11) . . ?
C55 C59 C58 109.5(13) . . ?
C55 C59 C64 123.6(12) . . ?
C58 C59 C64 126.7(16) . . ?
C55 C59 Rh2 69.9(7) . . ?
C58 C59 Rh2 69.3(7) . . ?
C64 C59 Rh2 123.2(7) . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C57 C62 H62A 109.5 . . ?
C57 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C57 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C58 C63 H63A 109.5 . . ?
C58 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C58 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C59 C64 H64A 109.5 . . ?
C59 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C59 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C69 C65 C70 127.7(10) . . ?
C69 C65 C66 106.7(10) . . ?
C70 C65 C66 125.4(9) . . ?
C69 C65 Rh3 70.8(6) . . ?
C70 C65 Rh3 127.3(7) . . ?
C66 C65 Rh3 70.6(6) . . ?
C67 C66 C65 109.5(11) . . ?
C67 C66 C71 125.1(11) . . ?
C65 C66 C71 125.4(10) . . ?
C67 C66 Rh3 71.0(6) . . ?
C65 C66 Rh3 69.8(5) . . ?
C71 C66 Rh3 124.6(8) . . ?
C66 C67 C68 107.7(11) . . ?
C66 C67 C72 125.4(14) . . ?
C68 C67 C72 126.9(13) . . ?
C66 C67 Rh3 71.3(5) . . ?
C68 C67 Rh3 68.2(6) . . ?
C72 C67 Rh3 125.3(10) . . ?
C73 C68 C67 124.8(16) . . ?
C73 C68 C69 127.4(17) . . ?
C67 C68 C69 107.3(10) . . ?
C73 C68 Rh3 127.2(10) . . ?
C67 C68 Rh3 72.5(6) . . ?
C69 C68 Rh3 71.5(5) . . ?
C65 C69 C68 108.6(11) . . ?
C65 C69 C74 123.1(11) . . ?
C68 C69 C74 128.0(12) . . ?
C65 C69 Rh3 71.2(6) . . ?
C68 C69 Rh3 68.2(6) . . ?
C74 C69 Rh3 121.4(8) . . ?
C65 C70 H70A 109.5 . . ?
C65 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C65 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C66 C71 H71A 109.5 . . ?
C66 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C66 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C67 C72 H72A 109.5 . . ?
C67 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C67 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C68 C73 H73A 109.5 . . ?
C68 C73 H73B 109.5 . . ?
H73A C73 H73B 109.5 . . ?
C68 C73 H73C 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C69 C74 H74A 109.5 . . ?
C69 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C69 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
O13 C85 C90 122.0(7) . . ?
O13 C85 C86 116.5(6) . . ?
C90 C85 C86 121.4(6) . . ?
O14 C86 C87 123.1(7) . . ?
O14 C86 C85 116.6(6) . . ?
C87 C86 C85 120.3(6) . . ?
C86 C87 C88 119.0(6) . . ?
C86 C87 H87 120.5 . . ?
C88 C87 H87 120.5 . . ?
O15 C88 C87 124.0(6) . . ?
O15 C88 C89 115.9(5) . . ?
C87 C88 C89 120.1(6) . . ?
O16 C89 C90 123.4(6) . . ?
O16 C89 C88 115.6(5) . . ?
C90 C89 C88 121.0(6) . . ?
C89 C90 C85 118.1(6) . . ?
C89 C90 H90 120.9 . . ?
C85 C90 H90 120.9 . . ?
O17 C91 C96 124.3(8) . . ?
O17 C91 C92 115.1(7) . . ?
C96 C91 C92 120.6(7) . . ?
O18 C92 C93 122.1(7) . . ?
O18 C92 C91 116.7(7) . . ?
C93 C92 C91 121.1(7) . . ?
C94 C93 C92 118.2(7) . . ?
C94 C93 H93 120.9 . . ?
C92 C93 H93 120.9 . . ?
O19 C94 C93 122.8(7) . . ?
O19 C94 C95 115.7(7) . . ?
C93 C94 C95 121.4(7) . . ?
O20 C95 C96 124.6(8) . . ?
O20 C95 C94 115.9(7) . . ?
C96 C95 C94 119.4(7) . . ?
C95 C96 C91 119.2(8) . . ?
C95 C96 H96 120.4 . . ?
C91 C96 H96 120.4 . . ?
N9 C97 C98 122.5(9) . . ?
N9 C97 H97 118.8 . . ?
C98 C97 H97 118.8 . . ?
C99 C98 C97 120.0(9) . . ?
C99 C98 H98 120.0 . . ?
C97 C98 H98 120.0 . . ?
C98 C99 C100 117.5(8) . . ?
C98 C99 C202 123.0(8) . . ?
C100 C99 C202 119.4(8) . . ?
C98 C99 C102 123.0(8) . . ?
C100 C99 C102 119.4(8) . . ?
C101 C100 C99 121.0(9) . . ?
C101 C100 H100 119.5 . . ?
C99 C100 H100 119.5 . . ?
C100 C101 N9 120.3(8) . . ?
C100 C101 H101 119.8 . . ?
N9 C101 H101 119.8 . . ?
N12 C108 C109 125.1(9) . . ?
N12 C108 H108 117.5 . . ?
C109 C108 H108 117.5 . . ?
C108 C109 C110 120.0(9) . . ?
C108 C109 H109 120.0 . . ?
C110 C109 H109 120.0 . . ?
C111 C110 C109 115.7(8) . . ?
C111 C110 C105 121.0(8) . . ?
C109 C110 C105 123.3(8) . . ?
C111 C110 C205 121.0(8) . . ?
C109 C110 C205 123.3(8) . . ?
C110 C111 C112 120.9(9) . . ?
C110 C111 H111 119.6 . . ?
C112 C111 H111 119.6 . . ?
N12 C112 C111 121.5(9) . . ?
N12 C112 H112 119.3 . . ?
C111 C112 H112 119.3 . . ?
N13 C113 C114 121.3(7) . . ?
N13 C113 H113 119.3 . . ?
C114 C113 H113 119.3 . . ?
C113 C114 C115 120.6(6) . . ?
C113 C114 H114 119.7 . . ?
C115 C114 H114 119.7 . . ?
C114 C115 C116 117.8(6) . . ?
C114 C115 C118 121.5(6) . . ?
C116 C115 C118 120.8(7) . . ?
C115 C116 C117 118.8(7) . . ?
C115 C116 H116 120.6 . . ?
C117 C116 H116 120.6 . . ?
N13 C117 C116 123.0(6) . . ?
N13 C117 H117 118.5 . . ?
C116 C117 H117 118.5 . . ?
N14 C118 C119 108.9(6) . . ?
N14 C118 C115 122.1(8) . . ?
C119 C118 C115 128.9(7) . . ?
C118 C119 C120 108.7(7) . . ?
C118 C119 C123 142.3(6) . . ?
C120 C119 C123 109.0(7) . . ?
C121 C120 C119 109.8(7) . . ?
C121 C120 C122 141.2(7) . . ?
C119 C120 C122 108.8(7) . . ?
C120 C121 N15 107.6(6) . . ?
C120 C121 C126 131.9(8) . . ?
N15 C121 C126 120.5(8) . . ?
O23 C122 N14 121.8(7) . . ?
O23 C122 C120 136.2(7) . . ?
N14 C122 C120 102.0(5) . . ?
O24 C123 N15 124.7(8) . . ?
O24 C123 C119 133.3(7) . . ?
N15 C123 C119 102.0(6) . . ?
N16 C124 C125 123.0(9) . . ?
N16 C124 H124 118.5 . . ?
C125 C124 H124 118.5 . . ?
C124 C125 C126 116.8(8) . . ?
C124 C125 H125 121.6 . . ?
C126 C125 H125 121.6 . . ?
C127 C126 C125 118.4(7) . . ?
C127 C126 C121 120.0(9) . . ?
C125 C126 C121 121.5(8) . . ?
C128 C127 C126 122.8(10) . . ?
C128 C127 H127 118.6 . . ?
C126 C127 H127 118.6 . . ?
C127 C128 N16 119.2(9) . . ?
C127 C128 H128 120.4 . . ?
N16 C128 H128 120.4 . . ?
C133 C129 C134 125.9(13) . . ?
C133 C129 C130 106.8(13) . . ?
C134 C129 C130 127.3(11) . . ?
C133 C129 Rh5 69.8(7) . . ?
C134 C129 Rh5 124.6(9) . . ?
C130 C129 Rh5 70.3(5) . . ?
C131 C130 C129 108.3(9) . . ?
C131 C130 C135 128.4(11) . . ?
C129 C130 C135 123.2(10) . . ?
C131 C130 Rh5 69.3(5) . . ?
C129 C130 Rh5 70.1(5) . . ?
C135 C130 Rh5 123.5(7) . . ?
C130 C131 C132 107.3(12) . . ?
C130 C131 C136 123.8(11) . . ?
C132 C131 C136 128.8(12) . . ?
C130 C131 Rh5 73.0(5) . . ?
C132 C131 Rh5 68.6(6) . . ?
C136 C131 Rh5 121.7(8) . . ?
C133 C132 C131 108.8(12) . . ?
C133 C132 C137 128.6(16) . . ?
C131 C132 C137 122.4(17) . . ?
C133 C132 Rh5 72.8(8) . . ?
C131 C132 Rh5 71.3(6) . . ?
C137 C132 Rh5 125.7(10) . . ?
C132 C133 C129 108.8(13) . . ?
C132 C133 C138 125.2(17) . . ?
C129 C133 C138 125.9(19) . . ?
C132 C133 Rh5 68.8(8) . . ?
C129 C133 Rh5 72.1(7) . . ?
C138 C133 Rh5 124.7(9) . . ?
C129 C134 H13A 109.5 . . ?
C129 C134 H13B 109.5 . . ?
H13A C134 H13B 109.5 . . ?
C129 C134 H13C 109.5 . . ?
H13A C134 H13C 109.5 . . ?
H13B C134 H13C 109.5 . . ?
C130 C135 H13D 109.5 . . ?
C130 C135 H13E 109.5 . . ?
H13D C135 H13E 109.5 . . ?
C130 C135 H13F 109.5 . . ?
H13D C135 H13F 109.5 . . ?
H13E C135 H13F 109.5 . . ?
C131 C136 H13G 109.5 . . ?
C131 C136 H13H 109.5 . . ?
H13G C136 H13H 109.5 . . ?
C131 C136 H13I 109.5 . . ?
H13G C136 H13I 109.5 . . ?
H13H C136 H13I 109.5 . . ?
C132 C137 H13J 109.5 . . ?
C132 C137 H13K 109.5 . . ?
H13J C137 H13K 109.5 . . ?
C132 C137 H13L 109.5 . . ?
H13J C137 H13L 109.5 . . ?
H13K C137 H13L 109.5 . . ?
C133 C138 H13M 109.5 . . ?
C133 C138 H13N 109.5 . . ?
H13M C138 H13N 109.5 . . ?
C133 C138 H13O 109.5 . . ?
H13M C138 H13O 109.5 . . ?
H13N C138 H13O 109.5 . . ?
C143 C139 C140 106.4(7) . . ?
C143 C139 C144 128.5(12) . . ?
C140 C139 C144 125.0(12) . . ?
C143 C139 Rh6 71.4(4) . . ?
C140 C139 Rh6 71.7(4) . . ?
C144 C139 Rh6 125.2(7) . . ?
C141 C140 C139 108.5(7) . . ?
C141 C140 C145 125.7(9) . . ?
C139 C140 C145 125.5(9) . . ?
C141 C140 Rh6 70.4(4) . . ?
C139 C140 Rh6 68.9(4) . . ?
C145 C140 Rh6 122.3(6) . . ?
C140 C141 C142 110.6(7) . . ?
C140 C141 C146 123.9(9) . . ?
C142 C141 C146 125.5(9) . . ?
C140 C141 Rh6 72.7(4) . . ?
C142 C141 Rh6 70.7(4) . . ?
C146 C141 Rh6 124.5(6) . . ?
C141 C142 C143 106.6(7) . . ?
C141 C142 C147 126.4(10) . . ?
C143 C142 C147 126.9(11) . . ?
C141 C142 Rh6 70.4(4) . . ?
C143 C142 Rh6 71.0(4) . . ?
C147 C142 Rh6 125.5(7) . . ?
C142 C143 C139 107.7(7) . . ?
C142 C143 C148 129.0(12) . . ?
C139 C143 C148 123.3(12) . . ?
C142 C143 Rh6 69.9(4) . . ?
C139 C143 Rh6 69.4(4) . . ?
C148 C143 Rh6 124.0(7) . . ?
C139 C144 H144 109.5 . . ?
C139 C144 H14B 109.5 . . ?
H144 C144 H14B 109.5 . . ?
C139 C144 H14C 109.5 . . ?
H144 C144 H14C 109.5 . . ?
H14B C144 H14C 109.5 . . ?
C140 C145 H14D 109.5 . . ?
C140 C145 H14E 109.5 . . ?
H14D C145 H14E 109.5 . . ?
C140 C145 H14F 109.5 . . ?
H14D C145 H14F 109.5 . . ?
H14E C145 H14F 109.5 . . ?
C141 C146 H14G 109.5 . . ?
C141 C146 H14H 109.5 . . ?
H14G C146 H14H 109.5 . . ?
C141 C146 H14I 109.5 . . ?
H14G C146 H14I 109.5 . . ?
H14H C146 H14I 109.5 . . ?
C142 C147 H14J 109.5 . . ?
C142 C147 H14K 109.5 . . ?
H14J C147 H14K 109.5 . . ?
C142 C147 H14L 109.5 . . ?
H14J C147 H14L 109.5 . . ?
H14K C147 H14L 109.5 . . ?
C143 C148 H14M 109.5 . . ?
C143 C148 H14N 109.5 . . ?
H14M C148 H14N 109.5 . . ?
C143 C148 H14O 109.5 . . ?
H14M C148 H14O 109.5 . . ?
H14N C148 H14O 109.5 . . ?
C153 C149 C150 107.7(13) . . ?
C153 C149 C154 133.1(19) . . ?
C150 C149 C154 118.8(19) . . ?
C153 C149 Rh7 69.3(6) . . ?
C150 C149 Rh7 70.9(6) . . ?
C154 C149 Rh7 119.4(10) . . ?
C151 C150 C149 105.0(12) . . ?
C151 C150 C155 123.4(13) . . ?
C149 C150 C155 131.6(15) . . ?
C151 C150 Rh7 72.3(6) . . ?
C149 C150 Rh7 70.1(6) . . ?
C155 C150 Rh7 123.1(9) . . ?
C152 C151 C150 112.1(14) . . ?
C152 C151 C156 121.5(15) . . ?
C150 C151 C156 125.8(14) . . ?
C152 C151 Rh7 70.8(8) . . ?
C150 C151 Rh7 69.2(6) . . ?
C156 C151 Rh7 121.2(8) . . ?
C151 C152 C153 107.2(16) . . ?
C151 C152 C157 132.7(18) . . ?
C153 C152 C157 119.9(19) . . ?
C151 C152 Rh7 73.5(8) . . ?
C153 C152 Rh7 68.4(8) . . ?
C157 C152 Rh7 125.4(10) . . ?
C149 C153 C152 107.6(12) . . ?
C149 C153 C158 125(2) . . ?
C152 C153 C158 127(2) . . ?
C149 C153 Rh7 71.7(7) . . ?
C152 C153 Rh7 72.0(7) . . ?
C158 C153 Rh7 124.3(10) . . ?
C149 C154 H15A 109.5 . . ?
C149 C154 H15B 109.5 . . ?
H15A C154 H15B 109.5 . . ?
C149 C154 H15C 109.5 . . ?
H15A C154 H15C 109.5 . . ?
H15B C154 H15C 109.5 . . ?
C150 C155 H15D 109.5 . . ?
C150 C155 H15E 109.5 . . ?
H15D C155 H15E 109.5 . . ?
C150 C155 H15F 109.5 . . ?
H15D C155 H15F 109.5 . . ?
H15E C155 H15F 109.5 . . ?
C151 C156 H15G 109.5 . . ?
C151 C156 H15H 109.5 . . ?
H15G C156 H15H 109.5 . . ?
C151 C156 H15I 109.5 . . ?
H15G C156 H15I 109.5 . . ?
H15H C156 H15I 109.5 . . ?
C152 C157 H15J 109.5 . . ?
C152 C157 H15K 109.5 . . ?
H15J C157 H15K 109.5 . . ?
C152 C157 H15L 109.5 . . ?
H15J C157 H15L 109.5 . . ?
H15K C157 H15L 109.5 . . ?
C153 C158 H15M 109.5 . . ?
C153 C158 H15N 109.5 . . ?
H15M C158 H15N 109.5 . . ?
C153 C158 H15O 109.5 . . ?
H15M C158 H15O 109.5 . . ?
H15N C158 H15O 109.5 . . ?
C160 C159 C163 111.8(12) . . ?
C160 C159 C164 126.0(17) . . ?
C163 C159 C164 122.1(17) . . ?
C160 C159 Rh8 72.4(6) . . ?
C163 C159 Rh8 71.5(7) . . ?
C164 C159 Rh8 120.8(12) . . ?
C159 C160 C161 109.0(12) . . ?
C159 C160 C165 126.9(13) . . ?
C161 C160 C165 124.0(14) . . ?
C159 C160 Rh8 70.5(7) . . ?
C161 C160 Rh8 70.5(6) . . ?
C165 C160 Rh8 123.3(10) . . ?
C160 C161 C162 109.1(10) . . ?
C160 C161 C166 126.3(11) . . ?
C162 C161 C166 124.5(10) . . ?
C160 C161 Rh8 71.3(6) . . ?
C162 C161 Rh8 70.8(6) . . ?
C166 C161 Rh8 126.3(7) . . ?
C167 C162 C161 129.4(11) . . ?
C167 C162 C163 126.3(13) . . ?
C161 C162 C163 104.2(11) . . ?
C167 C162 Rh8 127.3(8) . . ?
C161 C162 Rh8 69.4(6) . . ?
C163 C162 Rh8 69.2(6) . . ?
C159 C163 C168 131.4(15) . . ?
C159 C163 C162 105.9(12) . . ?
C168 C163 C162 122.6(16) . . ?
C159 C163 Rh8 69.9(7) . . ?
C168 C163 Rh8 121.6(9) . . ?
C162 C163 Rh8 70.0(6) . . ?
C159 C164 H16A 109.5 . . ?
C159 C164 H16B 109.5 . . ?
H16A C164 H16B 109.5 . . ?
C159 C164 H16C 109.5 . . ?
H16A C164 H16C 109.5 . . ?
H16B C164 H16C 109.5 . . ?
C160 C165 H16D 109.5 . . ?
C160 C165 H16E 109.5 . . ?
H16D C165 H16E 109.5 . . ?
C160 C165 H16F 109.5 . . ?
H16D C165 H16F 109.5 . . ?
H16E C165 H16F 109.5 . . ?
C161 C166 H16G 109.5 . . ?
C161 C166 H16H 109.5 . . ?
H16G C166 H16H 109.5 . . ?
C161 C166 H16I 109.5 . . ?
H16G C166 H16I 109.5 . . ?
H16H C166 H16I 109.5 . . ?
C162 C167 H16J 109.5 . . ?
C162 C167 H16K 109.5 . . ?
H16J C167 H16K 109.5 . . ?
C162 C167 H16L 109.5 . . ?
H16J C167 H16L 109.5 . . ?
H16K C167 H16L 109.5 . . ?
C163 C168 H16M 109.5 . . ?
C163 C168 H16N 109.5 . . ?
H16M C168 H16N 109.5 . . ?
C163 C168 H16O 109.5 . . ?
H16M C168 H16O 109.5 . . ?
H16N C168 H16O 109.5 . . ?
F2 C169 F3 106.4(18) . . ?
F2 C169 F1 106(2) . . ?
F3 C169 F1 106(2) . . ?
F2 C169 S1 112.7(19) . . ?
F3 C169 S1 115.3(16) . . ?
F1 C169 S1 109.7(12) . . ?
F4 C170 F6 98.1(16) . . ?
F4 C170 F5 100.9(16) . . ?
F6 C170 F5 112.4(17) . . ?
F4 C170 S2 111.7(13) . . ?
F6 C170 S2 118.2(15) . . ?
F5 C170 S2 113.0(13) . . ?
F7 C171 F8 108.5(13) . . ?
F7 C171 F9 108.7(14) . . ?
F8 C171 F9 114.6(17) . . ?
F7 C171 S3 113.9(12) . . ?
F8 C171 S3 103.5(11) . . ?
F9 C171 S3 107.7(11) . . ?
F11 C172 F12 104.8(15) . . ?
F11 C172 F10 106(2) . . ?
F12 C172 F10 102.4(18) . . ?
F11 C172 S4 118.4(17) . . ?
F12 C172 S4 112.9(17) . . ?
F10 C172 S4 111.2(13) . . ?
F14 C173 F13 110.2(19) . . ?
F14 C173 F15 112(2) . . ?
F13 C173 F15 114(2) . . ?
F14 C173 S5 114.7(14) . . ?
F13 C173 S5 104.7(17) . . ?
F15 C173 S5 101.1(16) . . ?
F17 C174 F16 104.5(13) . . ?
F17 C174 F18 106.1(16) . . ?
F16 C174 F18 100.4(13) . . ?
F17 C174 S6 119.2(11) . . ?
F16 C174 S6 120.6(10) . . ?
F18 C174 S6 103.5(13) . . ?
N17 C177 O49 126.2(15) . . ?
N17 C177 H177 116.9 . . ?
O49 C177 H177 116.9 . . ?
N17 C178 H17A 109.5 . . ?
N17 C178 H17B 109.5 . . ?
H17A C178 H17B 109.5 . . ?
N17 C178 H17C 109.5 . . ?
H17A C178 H17C 109.5 . . ?
H17B C178 H17C 109.5 . . ?
N17 C179 H17D 109.5 . . ?
N17 C179 H17E 109.5 . . ?
H17D C179 H17E 109.5 . . ?
N17 C179 H17F 109.5 . . ?
H17D C179 H17F 109.5 . . ?
H17E C179 H17F 109.5 . . ?
C177 N17 C178 120.4(13) . . ?
C177 N17 C179 118.7(13) . . ?
C178 N17 C179 120.6(12) . . ?
O50 C180 N18 122.5(12) . . ?
O50 C180 H180 118.8 . . ?
N18 C180 H180 118.8 . . ?
N18 C181 H18A 109.5 . . ?
N18 C181 H18B 109.5 . . ?
H18A C181 H18B 109.5 . . ?
N18 C181 H18C 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
N18 C182 H18D 109.5 . . ?
N18 C182 H18E 109.5 . . ?
H18D C182 H18E 109.5 . . ?
N18 C182 H18F 109.5 . . ?
H18D C182 H18F 109.5 . . ?
H18E C182 H18F 109.5 . . ?
C180 N18 C181 122.8(11) . . ?
C180 N18 C182 124.9(11) . . ?
C181 N18 C182 112.2(10) . . ?
O51 C183 N19 123.7(11) . . ?
O51 C183 H183 118.2 . . ?
N19 C183 H183 118.2 . . ?
N19 C184 H18G 109.5 . . ?
N19 C184 H18H 109.5 . . ?
H18G C184 H18H 109.5 . . ?
N19 C184 H18I 109.5 . . ?
H18G C184 H18I 109.5 . . ?
H18H C184 H18I 109.5 . . ?
N19 C185 H18J 109.5 . . ?
N19 C185 H18K 109.5 . . ?
H18J C185 H18K 109.5 . . ?
N19 C185 H18L 109.5 . . ?
H18J C185 H18L 109.5 . . ?
H18K C185 H18L 109.5 . . ?
C183 N19 C184 121.5(10) . . ?
C183 N19 C185 120.6(11) . . ?
C184 N19 C185 117.7(9) . . ?
N20 C186 C187 174(2) . . ?
C186 C187 H18M 109.5 . . ?
C186 C187 H18N 109.5 . . ?
H18M C187 H18N 109.5 . . ?
C186 C187 H18O 109.5 . . ?
H18M C187 H18O 109.5 . . ?
H18N C187 H18O 109.5 . . ?
N21 C188 C189 169.2(19) . . ?
C188 C189 H18P 109.5 . . ?
C188 C189 H18Q 109.5 . . ?
H18P C189 H18Q 109.5 . . ?
C188 C189 H18R 109.5 . . ?
H18P C189 H18R 109.5 . . ?
H18Q C189 H18R 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Rh1 O1 2.112(4) . ?
Rh1 O2 2.113(6) . ?
Rh1 N4 2.114(5) . ?
Rh1 C45 2.131(7) . ?
Rh1 C47 2.135(8) . ?
Rh1 C49 2.136(7) . ?
Rh1 C46 2.139(7) . ?
Rh1 C48 2.149(8) . ?
Rh2 O4 2.093(6) . ?
Rh2 C57 2.105(14) . ?
Rh2 C58 2.118(15) . ?
Rh2 C55 2.122(11) . ?
Rh2 N8 2.123(7) . ?
Rh2 C56 2.133(11) . ?
Rh2 C59 2.135(11) . ?
Rh2 O3 2.144(9) . ?
Rh3 C68 2.093(10) . ?
Rh3 O6 2.100(6) . ?
Rh3 O5 2.110(5) . ?
Rh3 N1 2.115(6) . ?
Rh3 C69 2.137(10) . ?
Rh3 C65 2.143(10) . ?
Rh3 C67 2.151(9) . ?
Rh3 C66 2.155(10) . ?
Rh4 C75 2.047(18) . ?
Rh4 O7 2.088(6) . ?
Rh4 C79 2.100(17) . ?
Rh4 N5 2.106(6) . ?
Rh4 O8 2.116(5) . ?
Rh4 C78 2.125(16) . ?
Rh4 C78' 2.129(15) . ?
Rh4 C76 2.131(16) . ?
Rh4 C79' 2.136(13) . ?
Rh4 C77' 2.142(15) . ?
Rh4 C75' 2.153(12) . ?
Rh4 C77 2.155(16) . ?
Rh5 C132 2.086(12) . ?
Rh5 N9 2.107(7) . ?
Rh5 O13 2.110(5) . ?
Rh5 C131 2.123(10) . ?
Rh5 O14 2.133(6) . ?
Rh5 C133 2.137(13) . ?
Rh5 C129 2.167(10) . ?
Rh5 C130 2.169(7) . ?
Rh6 O16 2.104(4) . ?
Rh6 C139 2.109(7) . ?
Rh6 C141 2.118(7) . ?
Rh6 O15 2.120(4) . ?
Rh6 C142 2.122(7) . ?
Rh6 N13 2.126(5) . ?
Rh6 C143 2.136(8) . ?
Rh6 C140 2.147(7) . ?
Rh7 C153 2.085(11) . ?
Rh7 O18 2.100(5) . ?
Rh7 O17 2.101(7) . ?
Rh7 N12 2.109(8) . ?
Rh7 C149 2.115(10) . ?
Rh7 C150 2.126(10) . ?
Rh7 C152 2.133(14) . ?
Rh7 C151 2.166(11) . ?
Rh8 O19 2.102(6) . ?
Rh8 N16 2.104(6) . ?
Rh8 O20 2.120(6) . ?
Rh8 C159 2.123(12) . ?
Rh8 C161 2.136(10) . ?
Rh8 C163 2.144(11) . ?
Rh8 C160 2.147(10) . ?
Rh8 C162 2.156(11) . ?
N2 C18 1.377(10) . ?
N2 C22 1.619(9) . ?
N2 H2 0.8800 . ?
N3 C21 1.386(10) . ?
N3 C23 1.533(8) . ?
N3 H3 0.8800 . ?
O9 C22 1.005(8) . ?
O10 C23 1.092(9) . ?
C18 C19 1.391(10) . ?
C18 C15 1.462(9) . ?
C19 C20 1.405(10) . ?
C19 C23 1.548(10) . ?
C20 C21 1.375(11) . ?
C20 C22 1.633(10) . ?
C21 C26 1.458(9) . ?
S1' C22' 1.619(9) . ?
S1' C20' 1.633(10) . ?
S2' C23' 1.533(8) . ?
S2' C19' 1.548(10) . ?
C18' C22' 1.377(10) . ?
C18' C19' 1.391(10) . ?
C18' C15 1.462(9) . ?
C19' C20' 1.405(10) . ?
C20' C21' 1.375(11) . ?
C21' C23' 1.386(10) . ?
C21' C26 1.458(9) . ?
C22' H22' 0.9500 . ?
C23' H23' 0.9500 . ?
N10 C102 1.435(11) . ?
N10 C106 1.653(10) . ?
N10 H10 0.8800 . ?
N11 C105 1.412(12) . ?
N11 C107 1.592(10) . ?
N11 H11 0.8800 . ?
O21 C106 0.942(10) . ?
O22 C107 1.117(10) . ?
C102 C103 1.403(12) . ?
C102 C99 1.437(12) . ?
C103 C104 1.397(11) . ?
C103 C107 1.583(10) . ?
C104 C105 1.370(12) . ?
C104 C106 1.725(11) . ?
C105 C110 1.451(13) . ?
S3' C206 1.653(10) . ?
S3' C204 1.725(11) . ?
S4' C203 1.583(10) . ?
S4' C207 1.592(10) . ?
C202 C203 1.403(12) . ?
C202 C206 1.435(12) . ?
C202 C99 1.437(12) . ?
C203 C204 1.397(11) . ?
C204 C205 1.370(12) . ?
C205 C207 1.412(11) . ?
C205 C110 1.451(13) . ?
C206 H206 0.9500 . ?
C207 H207 0.9500 . ?
C75 C76 1.40(3) . ?
C75 C79 1.47(3) . ?
C75 C80 1.517(17) . ?
C76 C81 1.40(3) . ?
C76 C77 1.46(2) . ?
C77 C78 1.39(3) . ?
C77 C82 1.49(3) . ?
C78 C79 1.35(2) . ?
C78 C83 1.54(2) . ?
C79 C84 1.531(17) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
C75' C79' 1.394(8) . ?
C75' C76' 1.394(8) . ?
C75' C80' 1.482(8) . ?
C76' C77' 1.394(8) . ?
C76' C81' 1.482(8) . ?
C77' C78' 1.394(8) . ?
C77' C82' 1.482(8) . ?
C78' C79' 1.394(8) . ?
C78' C83' 1.482(8) . ?
C79' C84' 1.482(8) . ?
C80' H80D 0.9800 . ?
C80' H80E 0.9800 . ?
C80' H80F 0.9800 . ?
C81' H81D 0.9800 . ?
C81' H81E 0.9800 . ?
C81' H81F 0.9800 . ?
C82' H82D 0.9800 . ?
C82' H82E 0.9800 . ?
C82' H82F 0.9800 . ?
C83' H83D 0.9800 . ?
C83' H83E 0.9800 . ?
C83' H83F 0.9800 . ?
C84' H84D 0.9800 . ?
C84' H84E 0.9800 . ?
C84' H84F 0.9800 . ?
N1 C17 1.325(11) . ?
N1 C13 1.367(10) . ?
N4 C24 1.330(9) . ?
N4 C28 1.350(10) . ?
N5 C29 1.347(9) . ?
N5 C33 1.359(10) . ?
N6 C34 1.385(9) . ?
N6 C38 1.447(9) . ?
N6 H6 0.8800 . ?
N7 C37 1.378(11) . ?
N7 C39 1.426(10) . ?
N7 H7 0.8800 . ?
N8 C44 1.314(14) . ?
N8 C40 1.323(14) . ?
N9 C97 1.334(11) . ?
N9 C101 1.363(11) . ?
N12 C108 1.321(12) . ?
N12 C112 1.341(12) . ?
N13 C117 1.325(9) . ?
N13 C113 1.354(8) . ?
N14 C118 1.376(9) . ?
N14 C122 1.450(9) . ?
N14 H14 0.8800 . ?
N15 C121 1.395(11) . ?
N15 C123 1.433(9) . ?
N15 H15 0.8800 . ?
N16 C124 1.333(12) . ?
N16 C128 1.371(13) . ?
O1 C1 1.266(8) . ?
O2 C2 1.263(10) . ?
O3 C4 1.273(10) . ?
O4 C5 1.274(10) . ?
O5 C7 1.261(8) . ?
O6 C8 1.289(9) . ?
O7 C10 1.283(9) . ?
O8 C11 1.259(9) . ?
O11 C38 1.200(9) . ?
O12 C39 1.166(10) . ?
O13 C85 1.277(8) . ?
O14 C86 1.281(8) . ?
O15 C88 1.270(8) . ?
O16 C89 1.279(7) . ?
O17 C91 1.288(10) . ?
O18 C92 1.285(9) . ?
O19 C94 1.291(9) . ?
O20 C95 1.269(10) . ?
O23 C122 1.191(8) . ?
O24 C123 1.180(9) . ?
O25 S1 1.383(10) . ?
O26 S1 1.417(9) . ?
O27 S1 1.449(10) . ?
O28 S2 1.411(13) . ?
O29 S2 1.355(12) . ?
O30 S2 1.476(11) . ?
O31 S3 1.384(10) . ?
O32 S3 1.447(10) . ?
O33 S3 1.468(11) . ?
O34 S4 1.492(9) . ?
O35 S4 1.420(10) . ?
O36 S4 1.408(17) . ?
O37 S5 1.427(16) . ?
O38 S5 1.554(14) . ?
O39 S5 1.433(17) . ?
O40 S6 1.366(12) . ?
O41 S6 1.431(13) . ?
O42 S6 1.638(19) . ?
S1 C169 1.75(2) . ?
S2 C170 1.754(17) . ?
S3 C171 1.788(14) . ?
S4 C172 1.62(2) . ?
S5 C173 1.82(2) . ?
S6 C174 1.653(15) . ?
F1 C169 1.32(2) . ?
F2 C169 1.27(2) . ?
F3 C169 1.302(16) . ?
F4 C170 1.298(17) . ?
F5 C170 1.340(14) . ?
F6 C170 1.30(2) . ?
F7 C171 1.342(14) . ?
F8 C171 1.365(15) . ?
F9 C171 1.365(14) . ?
F10 C172 1.39(2) . ?
F11 C172 1.36(2) . ?
F12 C172 1.359(15) . ?
F13 C173 1.28(2) . ?
F14 C173 1.22(2) . ?
F15 C173 1.312(15) . ?
F16 C174 1.373(13) . ?
F17 C174 1.317(14) . ?
F18 C174 1.415(15) . ?
C1 C6 1.380(10) . ?
C1 C2 1.520(10) . ?
C2 C3 1.411(12) . ?
C3 C4 1.357(14) . ?
C3 H3A 0.9500 . ?
C4 C5 1.497(13) . ?
C5 C6 1.402(10) . ?
C6 H6A 0.9500 . ?
C7 C12 1.391(10) . ?
C7 C8 1.534(10) . ?
C8 C9 1.387(11) . ?
C9 C10 1.368(11) . ?
C9 H9 0.9500 . ?
C10 C11 1.507(10) . ?
C11 C12 1.371(10) . ?
C12 H12 0.9500 . ?
C13 C14 1.367(10) . ?
C13 H13 0.9500 . ?
C14 C15 1.408(11) . ?
C14 H14A 0.9500 . ?
C15 C16 1.384(11) . ?
C16 C17 1.372(11) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C24 C25 1.381(10) . ?
C24 H24 0.9500 . ?
C25 C26 1.422(11) . ?
C25 H25 0.9500 . ?
C26 C27 1.381(10) . ?
C27 C28 1.402(10) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.364(10) . ?
C29 H29 0.9500 . ?
C30 C31 1.382(10) . ?
C30 H30 0.9500 . ?
C31 C32 1.373(11) . ?
C31 C34 1.458(9) . ?
C32 C33 1.363(11) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.390(11) . ?
C35 C36 1.407(10) . ?
C35 C39 1.481(12) . ?
C36 C37 1.390(13) . ?
C36 C38 1.431(13) . ?
C37 C42 1.470(11) . ?
C40 C41 1.394(13) . ?
C40 H40 0.9500 . ?
C41 C42 1.362(14) . ?
C41 H41 0.9500 . ?
C42 C43 1.352(14) . ?
C43 C44 1.363(13) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C46 1.432(11) . ?
C45 C49 1.437(11) . ?
C45 C50 1.460(12) . ?
C46 C47 1.429(12) . ?
C46 C51 1.487(12) . ?
C47 C48 1.444(12) . ?
C47 C52 1.476(12) . ?
C48 C49 1.449(13) . ?
C48 C53 1.455(14) . ?
C49 C54 1.488(11) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C59 1.43(2) . ?
C55 C56 1.452(13) . ?
C55 C60 1.46(2) . ?
C56 C57 1.36(3) . ?
C56 C61 1.42(2) . ?
C57 C58 1.48(2) . ?
C57 C62 1.52(2) . ?
C58 C59 1.458(14) . ?
C58 C63 1.497(16) . ?
C59 C64 1.504(17) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C69 1.394(15) . ?
C65 C70 1.446(14) . ?
C65 C66 1.457(12) . ?
C66 C67 1.393(16) . ?
C66 C71 1.489(17) . ?
C67 C68 1.430(19) . ?
C67 C72 1.468(19) . ?
C68 C73 1.416(18) . ?
C68 C69 1.457(18) . ?
C69 C74 1.593(19) . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 H73A 0.9800 . ?
C73 H73B 0.9800 . ?
C73 H73C 0.9800 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C85 C90 1.393(9) . ?
C85 C86 1.505(10) . ?
C86 C87 1.381(10) . ?
C87 C88 1.384(9) . ?
C87 H87 0.9500 . ?
C88 C89 1.531(9) . ?
C89 C90 1.365(9) . ?
C90 H90 0.9500 . ?
C91 C96 1.377(12) . ?
C91 C92 1.489(11) . ?
C92 C93 1.380(11) . ?
C93 C94 1.359(11) . ?
C93 H93 0.9500 . ?
C94 C95 1.520(11) . ?
C95 C96 1.370(12) . ?
C96 H96 0.9500 . ?
C97 C98 1.374(13) . ?
C97 H97 0.9500 . ?
C98 C99 1.347(12) . ?
C98 H98 0.9500 . ?
C99 C100 1.395(12) . ?
C100 C101 1.361(12) . ?
C100 H100 0.9500 . ?
C101 H101 0.9500 . ?
C108 C109 1.356(13) . ?
C108 H108 0.9500 . ?
C109 C110 1.418(12) . ?
C109 H109 0.9500 . ?
C110 C111 1.356(12) . ?
C111 C112 1.432(13) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C114 1.385(10) . ?
C113 H113 0.9500 . ?
C114 C115 1.385(11) . ?
C114 H114 0.9500 . ?
C115 C116 1.385(10) . ?
C115 C118 1.465(10) . ?
C116 C117 1.403(10) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C119 1.394(12) . ?
C119 C120 1.407(9) . ?
C119 C123 1.448(12) . ?
C120 C121 1.338(12) . ?
C120 C122 1.498(12) . ?
C121 C126 1.465(10) . ?
C124 C125 1.407(11) . ?
C124 H124 0.9500 . ?
C125 C126 1.413(14) . ?
C125 H125 0.9500 . ?
C126 C127 1.364(13) . ?
C127 C128 1.364(12) . ?
C127 H127 0.9500 . ?
C128 H128 0.9500 . ?
C129 C133 1.406(19) . ?
C129 C134 1.455(19) . ?
C129 C130 1.466(15) . ?
C130 C131 1.385(15) . ?
C130 C135 1.499(13) . ?
C131 C132 1.445(18) . ?
C131 C136 1.567(18) . ?
C132 C133 1.39(2) . ?
C132 C137 1.54(2) . ?
C133 C138 1.515(19) . ?
C134 H13A 0.9800 . ?
C134 H13B 0.9800 . ?
C134 H13C 0.9800 . ?
C135 H13D 0.9800 . ?
C135 H13E 0.9800 . ?
C135 H13F 0.9800 . ?
C136 H13G 0.9800 . ?
C136 H13H 0.9800 . ?
C136 H13I 0.9800 . ?
C137 H13J 0.9800 . ?
C137 H13K 0.9800 . ?
C137 H13L 0.9800 . ?
C138 H13M 0.9800 . ?
C138 H13N 0.9800 . ?
C138 H13O 0.9800 . ?
C139 C143 1.426(14) . ?
C139 C140 1.438(12) . ?
C139 C144 1.487(12) . ?
C140 C141 1.348(11) . ?
C140 C145 1.496(13) . ?
C141 C142 1.410(12) . ?
C141 C146 1.531(12) . ?
C142 C143 1.425(13) . ?
C142 C147 1.515(12) . ?
C143 C148 1.500(13) . ?
C144 H144 0.9800 . ?
C144 H14B 0.9800 . ?
C144 H14C 0.9800 . ?
C145 H14D 0.9800 . ?
C145 H14E 0.9800 . ?
C145 H14F 0.9800 . ?
C146 H14G 0.9800 . ?
C146 H14H 0.9800 . ?
C146 H14I 0.9800 . ?
C147 H14J 0.9800 . ?
C147 H14K 0.9800 . ?
C147 H14L 0.9800 . ?
C148 H14M 0.9800 . ?
C148 H14N 0.9800 . ?
C148 H14O 0.9800 . ?
C149 C153 1.40(2) . ?
C149 C150 1.417(14) . ?
C149 C154 1.59(2) . ?
C150 C151 1.414(13) . ?
C150 C155 1.491(14) . ?
C151 C152 1.32(2) . ?
C151 C156 1.482(18) . ?
C152 C153 1.43(2) . ?
C152 C157 1.60(2) . ?
C153 C158 1.66(2) . ?
C154 H15A 0.9800 . ?
C154 H15B 0.9800 . ?
C154 H15C 0.9800 . ?
C155 H15D 0.9800 . ?
C155 H15E 0.9800 . ?
C155 H15F 0.9800 . ?
C156 H15G 0.9800 . ?
C156 H15H 0.9800 . ?
C156 H15I 0.9800 . ?
C157 H15J 0.9800 . ?
C157 H15K 0.9800 . ?
C157 H15L 0.9800 . ?
C158 H15M 0.9800 . ?
C158 H15N 0.9800 . ?
C158 H15O 0.9800 . ?
C159 C160 1.356(19) . ?
C159 C163 1.41(2) . ?
C159 C164 1.54(2) . ?
C160 C161 1.401(15) . ?
C160 C165 1.49(2) . ?
C161 C162 1.461(15) . ?
C161 C166 1.505(14) . ?
C162 C167 1.375(16) . ?
C162 C163 1.500(17) . ?
C163 C168 1.48(2) . ?
C164 H16A 0.9800 . ?
C164 H16B 0.9800 . ?
C164 H16C 0.9800 . ?
C165 H16D 0.9800 . ?
C165 H16E 0.9800 . ?
C165 H16F 0.9800 . ?
C166 H16G 0.9800 . ?
C166 H16H 0.9800 . ?
C166 H16I 0.9800 . ?
C167 H16J 0.9800 . ?
C167 H16K 0.9800 . ?
C167 H16L 0.9800 . ?
C168 H16M 0.9800 . ?
C168 H16N 0.9800 . ?
C168 H16O 0.9800 . ?
C177 N17 1.247(14) . ?
C177 O49 1.253(16) . ?
C177 H177 0.9500 . ?
C178 N17 1.468(16) . ?
C178 H17A 0.9800 . ?
C178 H17B 0.9800 . ?
C178 H17C 0.9800 . ?
C179 N17 1.562(19) . ?
C179 H17D 0.9800 . ?
C179 H17E 0.9800 . ?
C179 H17F 0.9800 . ?
C180 O50 1.261(15) . ?
C180 N18 1.319(12) . ?
C180 H180 0.9500 . ?
C181 N18 1.434(13) . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C182 N18 1.441(15) . ?
C182 H18D 0.9800 . ?
C182 H18E 0.9800 . ?
C182 H18F 0.9800 . ?
C183 O51 1.261(14) . ?
C183 N19 1.309(13) . ?
C183 H183 0.9500 . ?
C184 N19 1.440(13) . ?
C184 H18G 0.9800 . ?
C184 H18H 0.9800 . ?
C184 H18I 0.9800 . ?
C185 N19 1.449(15) . ?
C185 H18J 0.9800 . ?
C185 H18K 0.9800 . ?
C185 H18L 0.9800 . ?
C186 N20 1.20(2) . ?
C186 C187 1.45(3) . ?
C187 H18M 0.9800 . ?
C187 H18N 0.9800 . ?
C187 H18O 0.9800 . ?
C188 N21 1.226(18) . ?
C188 C189 1.39(2) . ?
C189 H18P 0.9800 . ?
C189 H18Q 0.9800 . ?
C189 H18R 0.9800 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C127 H127 O23 0.95 2.33 3.232(12) 158.3 .
C116 H116 O24 0.95 2.23 3.120(10) 155.0 .
C114 H114 O50 0.95 2.29 3.219(10) 165.7 .
C111 H111 O21 0.95 2.29 3.189(16) 158.6 .
C100 H100 O22 0.95 2.34 3.241(15) 158.4 .
C43 H43 O11 0.95 2.37 3.255(13) 155.2 .
C41 H41 O51 0.95 2.42 3.310(13) 156.8 2_666
C32 H32 O49 0.95 2.30 3.234(11) 165.8 .
C30 H30 O12 0.95 2.26 3.150(10) 155.7 .
C27 H27 O9 0.95 2.35 3.234(12) 155.3 .
C25 H25 O34 0.95 2.36 3.297(11) 168.8 1_545
C16 H16 O26 0.95 2.43 3.334(13) 158.6 2_666
C14 H14A O10 0.95 2.26 3.149(11) 155.0 .
N14 H14 O50 0.88 1.85 2.725(12) 175.1 .
N7 H7 O51 0.88 1.83 2.683(11) 162.9 2_666
N6 H6 O49 0.88 1.89 2.767(11) 177.1 .
C206 H206 O28 0.95 1.94 2.877(16) 168.6 1_556
N10 H10 O28 0.88 2.01 2.877(16) 169.0 1_556
C23' H23' O34 0.95 1.93 2.863(12) 167.3 1_545
C22' H22' O26 0.95 2.01 2.946(11) 169.1 2_666
N3 H3 O34 0.88 2.00 2.863(12) 167.8 1_545
N2 H2 O26 0.88 2.08 2.946(11) 169.5 2_666
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C22 N2 C18 C19 4.2(8) . . . . ?
C22 N2 C18 C15 -174.1(5) . . . . ?
N2 C18 C19 C20 -2.5(8) . . . . ?
C15 C18 C19 C20 175.6(7) . . . . ?
N2 C18 C19 C23 178.7(7) . . . . ?
C15 C18 C19 C23 -3.2(13) . . . . ?
C18 C19 C20 C21 -178.9(6) . . . . ?
C23 C19 C20 C21 0.2(8) . . . . ?
C18 C19 C20 C22 0.1(8) . . . . ?
C23 C19 C20 C22 179.3(5) . . . . ?
C19 C20 C21 N3 1.6(8) . . . . ?
C22 C20 C21 N3 -177.2(7) . . . . ?
C19 C20 C21 C26 177.4(7) . . . . ?
C22 C20 C21 C26 -1.4(14) . . . . ?
C23 N3 C21 C20 -2.9(9) . . . . ?
C23 N3 C21 C26 -179.1(6) . . . . ?
C18 N2 C22 O9 -178.1(9) . . . . ?
C18 N2 C22 C20 -3.6(6) . . . . ?
C21 C20 C22 O9 -7.1(17) . . . . ?
C19 C20 C22 O9 174.1(12) . . . . ?
C21 C20 C22 N2 -179.4(8) . . . . ?
C19 C20 C22 N2 1.9(6) . . . . ?
C21 N3 C23 O10 178.4(9) . . . . ?
C21 N3 C23 C19 2.7(7) . . . . ?
C18 C19 C23 O10 2.8(17) . . . . ?
C20 C19 C23 O10 -175.9(11) . . . . ?
C18 C19 C23 N3 177.1(8) . . . . ?
C20 C19 C23 N3 -1.6(7) . . . . ?
C22' C18' C19' C20' -2.5(8) . . . . ?
C15 C18' C19' C20' 175.6(7) . . . . ?
C22' C18' C19' S2' 178.7(7) . . . . ?
C15 C18' C19' S2' -3.2(13) . . . . ?
C23' S2' C19' C18' 177.1(8) . . . . ?
C23' S2' C19' C20' -1.6(7) . . . . ?
C18' C19' C20' C21' -178.9(6) . . . . ?
S2' C19' C20' C21' 0.2(8) . . . . ?
C18' C19' C20' S1' 0.1(8) . . . . ?
S2' C19' C20' S1' 179.3(5) . . . . ?
C22' S1' C20' C21' -179.4(8) . . . . ?
C22' S1' C20' C19' 1.9(6) . . . . ?
C19' C20' C21' C23' 1.6(8) . . . . ?
S1' C20' C21' C23' -177.2(7) . . . . ?
C19' C20' C21' C26 177.4(7) . . . . ?
S1' C20' C21' C26 -1.4(14) . . . . ?
C19' C18' C22' S1' 4.2(8) . . . . ?
C15 C18' C22' S1' -174.1(5) . . . . ?
C20' S1' C22' C18' -3.6(6) . . . . ?
C20' C21' C23' S2' -2.9(9) . . . . ?
C26 C21' C23' S2' -179.1(6) . . . . ?
C19' S2' C23' C21' 2.7(7) . . . . ?
C106 N10 C102 C103 -0.6(9) . . . . ?
C106 N10 C102 C99 -177.8(6) . . . . ?
N10 C102 C103 C104 1.9(9) . . . . ?
C99 C102 C103 C104 178.8(8) . . . . ?
N10 C102 C103 C107 172.4(7) . . . . ?
C99 C102 C103 C107 -10.7(15) . . . . ?
C102 C103 C104 C105 179.1(7) . . . . ?
C107 C103 C104 C105 6.4(9) . . . . ?
C102 C103 C104 C106 -2.6(9) . . . . ?
C107 C103 C104 C106 -175.3(5) . . . . ?
C103 C104 C105 N11 -0.8(10) . . . . ?
C106 C104 C105 N11 -178.5(7) . . . . ?
C103 C104 C105 C110 179.7(8) . . . . ?
C106 C104 C105 C110 1.9(15) . . . . ?
C107 N11 C105 C104 -5.1(10) . . . . ?
C107 N11 C105 C110 174.5(7) . . . . ?
C102 N10 C106 O21 -178.0(12) . . . . ?
C102 N10 C106 C104 -0.7(7) . . . . ?
C105 C104 C106 O21 -3.7(19) . . . . ?
C103 C104 C106 O21 178.6(15) . . . . ?
C105 C104 C106 N10 179.6(8) . . . . ?
C103 C104 C106 N10 1.9(6) . . . . ?
C104 C103 C107 O22 -155.4(12) . . . . ?
C102 C103 C107 O22 34.2(17) . . . . ?
C104 C103 C107 N11 -8.2(7) . . . . ?
C102 C103 C107 N11 -178.7(9) . . . . ?
C105 N11 C107 O22 165.2(9) . . . . ?
C105 N11 C107 C103 7.8(8) . . . . ?
C206 C202 C203 C204 1.9(9) . . . . ?
C99 C202 C203 C204 178.8(8) . . . . ?
C206 C202 C203 S4' 172.4(7) . . . . ?
C99 C202 C203 S4' -10.7(15) . . . . ?
C207 S4' C203 C204 -8.2(7) . . . . ?
C207 S4' C203 C202 -178.7(9) . . . . ?
C202 C203 C204 C205 179.1(7) . . . . ?
S4' C203 C204 C205 6.4(9) . . . . ?
C202 C203 C204 S3' -2.6(9) . . . . ?
S4' C203 C204 S3' -175.3(5) . . . . ?
C206 S3' C204 C205 179.6(8) . . . . ?
C206 S3' C204 C203 1.9(6) . . . . ?
C203 C204 C205 C207 -0.8(10) . . . . ?
S3' C204 C205 C207 -178.5(7) . . . . ?
C203 C204 C205 C110 179.7(8) . . . . ?
S3' C204 C205 C110 1.9(15) . . . . ?
C203 C202 C206 S3' -0.6(9) . . . . ?
C99 C202 C206 S3' -177.8(6) . . . . ?
C204 S3' C206 C202 -0.7(7) . . . . ?
C204 C205 C207 S4' -5.1(10) . . . . ?
C110 C205 C207 S4' 174.5(7) . . . . ?
C203 S4' C207 C205 7.8(8) . . . . ?
C79 C75 C76 C81 174.1(17) . . . . ?
C80 C75 C76 C81 -3(3) . . . . ?
Rh4 C75 C76 C81 -123.3(18) . . . . ?
C79 C75 C76 C77 -2.0(18) . . . . ?
C80 C75 C76 C77 -179.1(18) . . . . ?
Rh4 C75 C76 C77 60.7(11) . . . . ?
C79 C75 C76 Rh4 -62.7(12) . . . . ?
C80 C75 C76 Rh4 120(2) . . . . ?
C81 C76 C77 C78 -173.3(18) . . . . ?
C75 C76 C77 C78 2.5(17) . . . . ?
Rh4 C76 C77 C78 60.7(11) . . . . ?
C81 C76 C77 C82 5(3) . . . . ?
C75 C76 C77 C82 -179.7(16) . . . . ?
Rh4 C76 C77 C82 -121.5(16) . . . . ?
C81 C76 C77 Rh4 126.0(19) . . . . ?
C75 C76 C77 Rh4 -58.2(11) . . . . ?
C76 C77 C78 C79 -2.3(19) . . . . ?
C82 C77 C78 C79 -180.0(17) . . . . ?
Rh4 C77 C78 C79 58.0(13) . . . . ?
C76 C77 C78 C83 -179.6(16) . . . . ?
C82 C77 C78 C83 3(3) . . . . ?
Rh4 C77 C78 C83 -119.3(17) . . . . ?
C76 C77 C78 Rh4 -60.3(10) . . . . ?
C82 C77 C78 Rh4 122.0(18) . . . . ?
C77 C78 C79 C75 1.0(19) . . . . ?
C83 C78 C79 C75 178.4(16) . . . . ?
Rh4 C78 C79 C75 60.1(11) . . . . ?
C77 C78 C79 C84 -179.0(17) . . . . ?
C83 C78 C79 C84 -2(3) . . . . ?
Rh4 C78 C79 C84 -120.0(19) . . . . ?
C77 C78 C79 Rh4 -59.0(12) . . . . ?
C83 C78 C79 Rh4 118.4(16) . . . . ?
C76 C75 C79 C78 0.7(19) . . . . ?
C80 C75 C79 C78 178.0(18) . . . . ?
Rh4 C75 C79 C78 -63.6(11) . . . . ?
C76 C75 C79 C84 -179.3(17) . . . . ?
C80 C75 C79 C84 -2(3) . . . . ?
Rh4 C75 C79 C84 116.5(18) . . . . ?
C76 C75 C79 Rh4 64.2(12) . . . . ?
C80 C75 C79 Rh4 -118.4(19) . . . . ?
C79' C75' C76' C77' 0.0 . . . . ?
C80' C75' C76' C77' 180.0 . . . . ?
Rh4 C75' C76' C77' 61.1(5) . . . . ?
C79' C75' C76' C81' 180.0 . . . . ?
C80' C75' C76' C81' 0.0 . . . . ?
Rh4 C75' C76' C81' -118.9(5) . . . . ?
C79' C75' C76' Rh4 -61.1(5) . . . . ?
C80' C75' C76' Rh4 118.9(5) . . . . ?
C75' C76' C77' C78' 0.0 . . . . ?
C81' C76' C77' C78' 180.0 . . . . ?
Rh4 C76' C77' C78' 61.4(5) . . . . ?
C75' C76' C77' C82' 180.0 . . . . ?
C81' C76' C77' C82' 0.0 . . . . ?
Rh4 C76' C77' C82' -118.6(5) . . . . ?
C75' C76' C77' Rh4 -61.4(5) . . . . ?
C81' C76' C77' Rh4 118.6(5) . . . . ?
C76' C77' C78' C79' 0.0 . . . . ?
C82' C77' C78' C79' 180.0 . . . . ?
Rh4 C77' C78' C79' 62.2(5) . . . . ?
C76' C77' C78' C83' 180.0 . . . . ?
C82' C77' C78' C83' 0.0 . . . . ?
Rh4 C77' C78' C83' -117.8(5) . . . . ?
C76' C77' C78' Rh4 -62.2(5) . . . . ?
C82' C77' C78' Rh4 117.8(5) . . . . ?
C76' C75' C79' C78' 0.0 . . . . ?
C80' C75' C79' C78' 180.0 . . . . ?
Rh4 C75' C79' C78' -61.7(5) . . . . ?
C76' C75' C79' C84' 180.0 . . . . ?
C80' C75' C79' C84' 0.0 . . . . ?
Rh4 C75' C79' C84' 118.3(5) . . . . ?
C76' C75' C79' Rh4 61.7(5) . . . . ?
C80' C75' C79' Rh4 -118.3(5) . . . . ?
C77' C78' C79' C75' 0.0 . . . . ?
C83' C78' C79' C75' 180.0 . . . . ?
Rh4 C78' C79' C75' 62.4(5) . . . . ?
C77' C78' C79' C84' 180.0 . . . . ?
C83' C78' C79' C84' 0.0 . . . . ?
Rh4 C78' C79' C84' -117.6(5) . . . . ?
C77' C78' C79' Rh4 -62.4(5) . . . . ?
C83' C78' C79' Rh4 117.6(5) . . . . ?
Rh1 O1 C1 C6 -176.4(5) . . . . ?
Rh1 O1 C1 C2 5.3(7) . . . . ?
Rh1 O2 C2 C3 179.5(5) . . . . ?
Rh1 O2 C2 C1 -1.8(7) . . . . ?
O1 C1 C2 O2 -2.4(8) . . . . ?
C6 C1 C2 O2 179.2(6) . . . . ?
O1 C1 C2 C3 176.4(6) . . . . ?
C6 C1 C2 C3 -2.0(9) . . . . ?
O2 C2 C3 C4 -179.2(7) . . . . ?
C1 C2 C3 C4 2.2(11) . . . . ?
Rh2 O3 C4 C3 179.4(6) . . . . ?
Rh2 O3 C4 C5 -2.2(8) . . . . ?
C2 C3 C4 O3 177.5(7) . . . . ?
C2 C3 C4 C5 -0.9(11) . . . . ?
Rh2 O4 C5 C6 -179.8(5) . . . . ?
Rh2 O4 C5 C4 -1.6(8) . . . . ?
O3 C4 C5 O4 2.6(9) . . . . ?
C3 C4 C5 O4 -178.9(7) . . . . ?
O3 C4 C5 C6 -179.2(6) . . . . ?
C3 C4 C5 C6 -0.8(10) . . . . ?
O1 C1 C6 C5 -177.8(6) . . . . ?
C2 C1 C6 C5 0.5(9) . . . . ?
O4 C5 C6 C1 179.0(6) . . . . ?
C4 C5 C6 C1 0.9(9) . . . . ?
Rh3 O5 C7 C12 -179.2(5) . . . . ?
Rh3 O5 C7 C8 -1.5(7) . . . . ?
Rh3 O6 C8 C9 178.8(5) . . . . ?
Rh3 O6 C8 C7 -1.1(7) . . . . ?
O5 C7 C8 O6 1.7(8) . . . . ?
C12 C7 C8 O6 179.6(5) . . . . ?
O5 C7 C8 C9 -178.1(6) . . . . ?
C12 C7 C8 C9 -0.3(9) . . . . ?
O6 C8 C9 C10 179.8(6) . . . . ?
C7 C8 C9 C10 -0.4(9) . . . . ?
Rh4 O7 C10 C9 -177.1(5) . . . . ?
Rh4 O7 C10 C11 4.5(7) . . . . ?
C8 C9 C10 O7 -178.0(6) . . . . ?
C8 C9 C10 C11 0.4(9) . . . . ?
Rh4 O8 C11 C12 177.4(5) . . . . ?
Rh4 O8 C11 C10 -3.1(7) . . . . ?
O7 C10 C11 O8 -0.9(8) . . . . ?
C9 C10 C11 O8 -179.4(6) . . . . ?
O7 C10 C11 C12 178.6(6) . . . . ?
C9 C10 C11 C12 0.2(9) . . . . ?
O8 C11 C12 C7 178.7(6) . . . . ?
C10 C11 C12 C7 -0.8(9) . . . . ?
O5 C7 C12 C11 178.5(6) . . . . ?
C8 C7 C12 C11 0.8(9) . . . . ?
C17 N1 C13 C14 0.9(11) . . . . ?
Rh3 N1 C13 C14 174.3(6) . . . . ?
N1 C13 C14 C15 -2.7(12) . . . . ?
C13 C14 C15 C16 1.1(11) . . . . ?
C13 C14 C15 C18 -175.7(7) . . . . ?
C13 C14 C15 C18' -175.7(7) . . . . ?
N2 C18 C15 C16 -8.7(11) . . . . ?
C19 C18 C15 C16 173.4(7) . . . . ?
N2 C18 C15 C14 167.8(7) . . . . ?
C19 C18 C15 C14 -10.0(11) . . . . ?
C22' C18' C15 C16 -8.7(11) . . . . ?
C19' C18' C15 C16 173.4(7) . . . . ?
C22' C18' C15 C14 167.8(7) . . . . ?
C19' C18' C15 C14 -10.0(11) . . . . ?
C14 C15 C16 C17 2.1(11) . . . . ?
C18 C15 C16 C17 178.7(7) . . . . ?
C18' C15 C16 C17 178.7(7) . . . . ?
C13 N1 C17 C16 2.6(12) . . . . ?
Rh3 N1 C17 C16 -170.2(6) . . . . ?
C15 C16 C17 N1 -4.1(13) . . . . ?
C28 N4 C24 C25 -0.5(12) . . . . ?
Rh1 N4 C24 C25 173.9(6) . . . . ?
N4 C24 C25 C26 1.0(13) . . . . ?
C24 C25 C26 C27 -0.2(12) . . . . ?
C24 C25 C26 C21 -179.8(7) . . . . ?
C24 C25 C26 C21' -179.8(7) . . . . ?
C20 C21 C26 C27 1.1(13) . . . . ?
N3 C21 C26 C27 176.3(7) . . . . ?
C20 C21 C26 C25 -179.3(8) . . . . ?
N3 C21 C26 C25 -4.0(11) . . . . ?
C20' C21' C26 C27 1.1(13) . . . . ?
C23' C21' C26 C27 176.3(7) . . . . ?
C20' C21' C26 C25 -179.3(8) . . . . ?
C23' C21' C26 C25 -4.0(11) . . . . ?
C25 C26 C27 C28 -1.1(12) . . . . ?
C21 C26 C27 C28 178.5(7) . . . . ?
C21' C26 C27 C28 178.5(7) . . . . ?
C24 N4 C28 C27 -0.9(12) . . . . ?
Rh1 N4 C28 C27 -175.3(6) . . . . ?
C26 C27 C28 N4 1.7(13) . . . . ?
C33 N5 C29 C30 -2.2(12) . . . . ?
Rh4 N5 C29 C30 179.2(6) . . . . ?
N5 C29 C30 C31 1.5(12) . . . . ?
C29 C30 C31 C32 -0.5(11) . . . . ?
C29 C30 C31 C34 177.4(7) . . . . ?
C30 C31 C32 C33 0.4(12) . . . . ?
C34 C31 C32 C33 -177.4(8) . . . . ?
C29 N5 C33 C32 2.1(13) . . . . ?
Rh4 N5 C33 C32 -179.3(7) . . . . ?
C31 C32 C33 N5 -1.3(14) . . . . ?
C38 N6 C34 C35 -3.9(8) . . . . ?
C38 N6 C34 C31 176.2(6) . . . . ?
C32 C31 C34 N6 -3.8(11) . . . . ?
C30 C31 C34 N6 178.3(7) . . . . ?
C32 C31 C34 C35 176.3(8) . . . . ?
C30 C31 C34 C35 -1.5(12) . . . . ?
N6 C34 C35 C36 3.6(8) . . . . ?
C31 C34 C35 C36 -176.5(7) . . . . ?
N6 C34 C35 C39 179.3(9) . . . . ?
C31 C34 C35 C39 -0.9(15) . . . . ?
C34 C35 C36 C37 175.2(6) . . . . ?
C39 C35 C36 C37 -1.9(9) . . . . ?
C34 C35 C36 C38 -2.1(9) . . . . ?
C39 C35 C36 C38 -179.2(6) . . . . ?
C39 N7 C37 C36 -1.4(10) . . . . ?
C39 N7 C37 C42 175.7(7) . . . . ?
C35 C36 C37 N7 2.0(9) . . . . ?
C38 C36 C37 N7 177.9(9) . . . . ?
C35 C36 C37 C42 -174.8(8) . . . . ?
C38 C36 C37 C42 1.1(17) . . . . ?
C37 C36 C38 O11 6.6(18) . . . . ?
C35 C36 C38 O11 -177.5(9) . . . . ?
C37 C36 C38 N6 -176.1(10) . . . . ?
C35 C36 C38 N6 -0.3(8) . . . . ?
C34 N6 C38 O11 -179.6(7) . . . . ?
C34 N6 C38 C36 2.6(7) . . . . ?
C37 N7 C39 O12 -179.6(9) . . . . ?
C37 N7 C39 C35 0.2(9) . . . . ?
C34 C35 C39 O12 5.2(18) . . . . ?
C36 C35 C39 O12 -179.2(10) . . . . ?
C34 C35 C39 N7 -174.6(9) . . . . ?
C36 C35 C39 N7 1.0(8) . . . . ?
C44 N8 C40 C41 3.0(14) . . . . ?
Rh2 N8 C40 C41 177.0(7) . . . . ?
N8 C40 C41 C42 -3.0(14) . . . . ?
C40 C41 C42 C43 0.4(14) . . . . ?
C40 C41 C42 C37 -177.8(8) . . . . ?
N7 C37 C42 C43 179.3(9) . . . . ?
C36 C37 C42 C43 -4.3(15) . . . . ?
N7 C37 C42 C41 -2.7(13) . . . . ?
C36 C37 C42 C41 173.8(9) . . . . ?
C41 C42 C43 C44 2.1(16) . . . . ?
C37 C42 C43 C44 -179.8(10) . . . . ?
C40 N8 C44 C43 -0.5(17) . . . . ?
Rh2 N8 C44 C43 -174.3(9) . . . . ?
C42 C43 C44 N8 -2.1(19) . . . . ?
C49 C45 C46 C47 -0.8(8) . . . . ?
C50 C45 C46 C47 178.4(8) . . . . ?
Rh1 C45 C46 C47 60.2(5) . . . . ?
C49 C45 C46 C51 -178.5(8) . . . . ?
C50 C45 C46 C51 0.7(13) . . . . ?
Rh1 C45 C46 C51 -117.5(8) . . . . ?
C49 C45 C46 Rh1 -61.0(5) . . . . ?
C50 C45 C46 Rh1 118.2(8) . . . . ?
C45 C46 C47 C48 0.8(8) . . . . ?
C51 C46 C47 C48 178.6(8) . . . . ?
Rh1 C46 C47 C48 60.9(5) . . . . ?
C45 C46 C47 C52 178.8(7) . . . . ?
C51 C46 C47 C52 -3.5(12) . . . . ?
Rh1 C46 C47 C52 -121.1(7) . . . . ?
C45 C46 C47 Rh1 -60.1(5) . . . . ?
C51 C46 C47 Rh1 117.6(8) . . . . ?
C46 C47 C48 C49 -0.6(8) . . . . ?
C52 C47 C48 C49 -178.5(7) . . . . ?
Rh1 C47 C48 C49 60.2(5) . . . . ?
C46 C47 C48 C53 176.2(8) . . . . ?
C52 C47 C48 C53 -1.7(13) . . . . ?
Rh1 C47 C48 C53 -123.0(8) . . . . ?
C46 C47 C48 Rh1 -60.8(5) . . . . ?
C52 C47 C48 Rh1 121.3(8) . . . . ?
C46 C45 C49 C48 0.5(8) . . . . ?
C50 C45 C49 C48 -178.8(8) . . . . ?
Rh1 C45 C49 C48 -60.7(5) . . . . ?
C46 C45 C49 C54 -176.8(8) . . . . ?
C50 C45 C49 C54 4.0(13) . . . . ?
Rh1 C45 C49 C54 122.1(8) . . . . ?
C46 C45 C49 Rh1 61.1(5) . . . . ?
C50 C45 C49 Rh1 -118.1(8) . . . . ?
C47 C48 C49 C45 0.1(8) . . . . ?
C53 C48 C49 C45 -176.6(8) . . . . ?
Rh1 C48 C49 C45 60.3(5) . . . . ?
C47 C48 C49 C54 177.3(7) . . . . ?
C53 C48 C49 C54 0.6(13) . . . . ?
Rh1 C48 C49 C54 -122.5(8) . . . . ?
C47 C48 C49 Rh1 -60.2(5) . . . . ?
C53 C48 C49 Rh1 123.1(9) . . . . ?
C59 C55 C56 C57 -1.3(15) . . . . ?
C60 C55 C56 C57 -175.9(13) . . . . ?
Rh2 C55 C56 C57 60.1(10) . . . . ?
C59 C55 C56 C61 174.1(15) . . . . ?
C60 C55 C56 C61 0(2) . . . . ?
Rh2 C55 C56 C61 -124.5(17) . . . . ?
C59 C55 C56 Rh2 -61.5(9) . . . . ?
C60 C55 C56 Rh2 124.0(14) . . . . ?
C61 C56 C57 C58 -176.1(15) . . . . ?
C55 C56 C57 C58 -0.9(17) . . . . ?
Rh2 C56 C57 C58 59.0(10) . . . . ?
C61 C56 C57 C62 4(3) . . . . ?
C55 C56 C57 C62 178.9(12) . . . . ?
Rh2 C56 C57 C62 -121.2(15) . . . . ?
C61 C56 C57 Rh2 124.9(17) . . . . ?
C55 C56 C57 Rh2 -59.9(9) . . . . ?
C56 C57 C58 C59 2.7(15) . . . . ?
C62 C57 C58 C59 -177.2(12) . . . . ?
Rh2 C57 C58 C59 63.0(8) . . . . ?
C56 C57 C58 C63 178.8(15) . . . . ?
C62 C57 C58 C63 -1(2) . . . . ?
Rh2 C57 C58 C63 -120.9(17) . . . . ?
C56 C57 C58 Rh2 -60.3(12) . . . . ?
C62 C57 C58 Rh2 119.9(13) . . . . ?
C56 C55 C59 C58 3.1(14) . . . . ?
C60 C55 C59 C58 177.5(13) . . . . ?
Rh2 C55 C59 C58 -58.1(8) . . . . ?
C56 C55 C59 C64 178.3(10) . . . . ?
C60 C55 C59 C64 -7(2) . . . . ?
Rh2 C55 C59 C64 117.2(10) . . . . ?
C56 C55 C59 Rh2 61.2(8) . . . . ?
C60 C55 C59 Rh2 -124.4(14) . . . . ?
C57 C58 C59 C55 -3.4(13) . . . . ?
C63 C58 C59 C55 -179.8(14) . . . . ?
Rh2 C58 C59 C55 58.4(8) . . . . ?
C57 C58 C59 C64 -178.5(11) . . . . ?
C63 C58 C59 C64 5(2) . . . . ?
Rh2 C58 C59 C64 -116.6(11) . . . . ?
C57 C58 C59 Rh2 -61.9(9) . . . . ?
C63 C58 C59 Rh2 121.8(15) . . . . ?
C69 C65 C66 C67 -1.9(11) . . . . ?
C70 C65 C66 C67 -177.4(9) . . . . ?
Rh3 C65 C66 C67 60.0(7) . . . . ?
C69 C65 C66 C71 179.4(10) . . . . ?
C70 C65 C66 C71 3.9(16) . . . . ?
Rh3 C65 C66 C71 -118.7(10) . . . . ?
C69 C65 C66 Rh3 -61.9(6) . . . . ?
C70 C65 C66 Rh3 122.6(9) . . . . ?
C65 C66 C67 C68 -0.6(12) . . . . ?
C71 C66 C67 C68 178.1(10) . . . . ?
Rh3 C66 C67 C68 58.6(7) . . . . ?
C65 C66 C67 C72 -179.8(11) . . . . ?
C71 C66 C67 C72 -1.0(18) . . . . ?
Rh3 C66 C67 C72 -120.5(13) . . . . ?
C65 C66 C67 Rh3 -59.3(7) . . . . ?
C71 C66 C67 Rh3 119.5(11) . . . . ?
C66 C67 C68 C73 175.8(12) . . . . ?
C72 C67 C68 C73 -5(2) . . . . ?
Rh3 C67 C68 C73 -123.6(14) . . . . ?
C66 C67 C68 C69 2.8(12) . . . . ?
C72 C67 C68 C69 -178.0(12) . . . . ?
Rh3 C67 C68 C69 63.4(7) . . . . ?
C66 C67 C68 Rh3 -60.6(7) . . . . ?
C72 C67 C68 Rh3 118.5(13) . . . . ?
C70 C65 C69 C68 179.0(9) . . . . ?
C66 C65 C69 C68 3.6(11) . . . . ?
Rh3 C65 C69 C68 -58.2(7) . . . . ?
C70 C65 C69 C74 -7.0(16) . . . . ?
C66 C65 C69 C74 177.6(9) . . . . ?
Rh3 C65 C69 C74 115.8(10) . . . . ?
C70 C65 C69 Rh3 -122.8(10) . . . . ?
C66 C65 C69 Rh3 61.8(6) . . . . ?
C73 C68 C69 C65 -176.8(12) . . . . ?
C67 C68 C69 C65 -4.1(12) . . . . ?
Rh3 C68 C69 C65 60.0(7) . . . . ?
C73 C68 C69 C74 9.6(19) . . . . ?
C67 C68 C69 C74 -177.6(10) . . . . ?
Rh3 C68 C69 C74 -113.5(11) . . . . ?
C73 C68 C69 Rh3 123.2(14) . . . . ?
C67 C68 C69 Rh3 -64.1(8) . . . . ?
Rh5 O13 C85 C90 179.9(5) . . . . ?
Rh5 O13 C85 C86 -1.6(8) . . . . ?
Rh5 O14 C86 C87 -178.9(5) . . . . ?
Rh5 O14 C86 C85 -0.6(8) . . . . ?
O13 C85 C86 O14 1.5(9) . . . . ?
C90 C85 C86 O14 -180.0(6) . . . . ?
O13 C85 C86 C87 179.9(6) . . . . ?
C90 C85 C86 C87 -1.6(10) . . . . ?
O14 C86 C87 C88 -178.9(6) . . . . ?
C85 C86 C87 C88 2.8(10) . . . . ?
Rh6 O15 C88 C87 177.9(5) . . . . ?
Rh6 O15 C88 C89 -2.8(6) . . . . ?
C86 C87 C88 O15 177.9(6) . . . . ?
C86 C87 C88 C89 -1.3(9) . . . . ?
Rh6 O16 C89 C90 -176.0(5) . . . . ?
Rh6 O16 C89 C88 3.6(7) . . . . ?
O15 C88 C89 O16 -0.5(8) . . . . ?
C87 C88 C89 O16 178.8(6) . . . . ?
O15 C88 C89 C90 179.1(6) . . . . ?
C87 C88 C89 C90 -1.6(9) . . . . ?
O16 C89 C90 C85 -177.6(6) . . . . ?
C88 C89 C90 C85 2.8(9) . . . . ?
O13 C85 C90 C89 177.2(6) . . . . ?
C86 C85 C90 C89 -1.3(9) . . . . ?
Rh7 O17 C91 C96 -178.3(6) . . . . ?
Rh7 O17 C91 C92 0.4(8) . . . . ?
Rh7 O18 C92 C93 178.3(5) . . . . ?
Rh7 O18 C92 C91 0.4(8) . . . . ?
O17 C91 C92 O18 -0.5(10) . . . . ?
C96 C91 C92 O18 178.2(7) . . . . ?
O17 C91 C92 C93 -178.4(7) . . . . ?
C96 C91 C92 C93 0.3(11) . . . . ?
O18 C92 C93 C94 -179.7(7) . . . . ?
C91 C92 C93 C94 -1.8(10) . . . . ?
Rh8 O19 C94 C93 -178.6(5) . . . . ?
Rh8 O19 C94 C95 3.5(7) . . . . ?
C92 C93 C94 O19 -177.5(6) . . . . ?
C92 C93 C94 C95 0.4(10) . . . . ?
Rh8 O20 C95 C96 176.4(6) . . . . ?
Rh8 O20 C95 C94 -0.9(8) . . . . ?
O19 C94 C95 O20 -1.7(9) . . . . ?
C93 C94 C95 O20 -179.7(7) . . . . ?
O19 C94 C95 C96 -179.2(7) . . . . ?
C93 C94 C95 C96 2.8(10) . . . . ?
O20 C95 C96 C91 178.4(7) . . . . ?
C94 C95 C96 C91 -4.3(11) . . . . ?
O17 C91 C96 C95 -178.5(7) . . . . ?
C92 C91 C96 C95 2.9(11) . . . . ?
C101 N9 C97 C98 3.9(12) . . . . ?
Rh5 N9 C97 C98 -170.6(6) . . . . ?
N9 C97 C98 C99 1.6(13) . . . . ?
C97 C98 C99 C100 -5.8(12) . . . . ?
C97 C98 C99 C202 175.3(8) . . . . ?
C97 C98 C99 C102 175.3(8) . . . . ?
C203 C202 C99 C98 171.5(8) . . . . ?
C206 C202 C99 C98 -12.1(12) . . . . ?
C203 C202 C99 C100 -7.4(13) . . . . ?
C206 C202 C99 C100 169.1(7) . . . . ?
C103 C102 C99 C98 171.5(8) . . . . ?
N10 C102 C99 C98 -12.1(12) . . . . ?
C103 C102 C99 C100 -7.4(13) . . . . ?
N10 C102 C99 C100 169.1(7) . . . . ?
C98 C99 C100 C101 4.8(12) . . . . ?
C202 C99 C100 C101 -176.3(8) . . . . ?
C102 C99 C100 C101 -176.3(8) . . . . ?
C99 C100 C101 N9 0.6(13) . . . . ?
C97 N9 C101 C100 -4.9(12) . . . . ?
Rh5 N9 C101 C100 169.6(7) . . . . ?
C112 N12 C108 C109 0.0(15) . . . . ?
Rh7 N12 C108 C109 178.1(8) . . . . ?
N12 C108 C109 C110 -1.6(16) . . . . ?
C108 C109 C110 C111 2.6(14) . . . . ?
C108 C109 C110 C105 -178.2(9) . . . . ?
C108 C109 C110 C205 -178.2(9) . . . . ?
C104 C105 C110 C111 -2.0(14) . . . . ?
N11 C105 C110 C111 178.5(9) . . . . ?
C104 C105 C110 C109 178.9(9) . . . . ?
N11 C105 C110 C109 -0.7(13) . . . . ?
C204 C205 C110 C111 -2.0(14) . . . . ?
C207 C205 C110 C111 178.5(9) . . . . ?
C204 C205 C110 C109 178.9(9) . . . . ?
C207 C205 C110 C109 -0.7(13) . . . . ?
C109 C110 C111 C112 -2.2(14) . . . . ?
C105 C110 C111 C112 178.6(9) . . . . ?
C205 C110 C111 C112 178.6(9) . . . . ?
C108 N12 C112 C111 0.5(15) . . . . ?
Rh7 N12 C112 C111 -177.7(8) . . . . ?
C110 C111 C112 N12 0.7(16) . . . . ?
C117 N13 C113 C114 -0.7(11) . . . . ?
Rh6 N13 C113 C114 -176.3(6) . . . . ?
N13 C113 C114 C115 0.9(12) . . . . ?
C113 C114 C115 C116 -0.8(11) . . . . ?
C113 C114 C115 C118 179.9(7) . . . . ?
C114 C115 C116 C117 0.6(10) . . . . ?
C118 C115 C116 C117 179.9(7) . . . . ?
C113 N13 C117 C116 0.5(11) . . . . ?
Rh6 N13 C117 C116 176.1(6) . . . . ?
C115 C116 C117 N13 -0.5(11) . . . . ?
C122 N14 C118 C119 0.0(8) . . . . ?
C122 N14 C118 C115 175.9(6) . . . . ?
C114 C115 C118 N14 -1.5(10) . . . . ?
C116 C115 C118 N14 179.3(7) . . . . ?
C114 C115 C118 C119 173.6(7) . . . . ?
C116 C115 C118 C119 -5.7(11) . . . . ?
N14 C118 C119 C120 0.4(8) . . . . ?
C115 C118 C119 C120 -175.2(7) . . . . ?
N14 C118 C119 C123 179.4(9) . . . . ?
C115 C118 C119 C123 3.9(15) . . . . ?
C118 C119 C120 C121 175.7(6) . . . . ?
C123 C119 C120 C121 -3.7(9) . . . . ?
C118 C119 C120 C122 -0.6(8) . . . . ?
C123 C119 C120 C122 180.0(6) . . . . ?
C119 C120 C121 N15 3.7(9) . . . . ?
C122 C120 C121 N15 178.2(9) . . . . ?
C119 C120 C121 C126 -175.6(8) . . . . ?
C122 C120 C121 C126 -1.1(17) . . . . ?
C123 N15 C121 C120 -2.4(10) . . . . ?
C123 N15 C121 C126 176.9(7) . . . . ?
C118 N14 C122 O23 179.8(6) . . . . ?
C118 N14 C122 C120 -0.4(7) . . . . ?
C121 C120 C122 O23 5.8(16) . . . . ?
C119 C120 C122 O23 -179.6(8) . . . . ?
C121 C120 C122 N14 -173.9(10) . . . . ?
C119 C120 C122 N14 0.6(7) . . . . ?
C121 N15 C123 O24 -178.4(9) . . . . ?
C121 N15 C123 C119 0.2(9) . . . . ?
C118 C119 C123 O24 1.3(18) . . . . ?
C120 C119 C123 O24 -179.6(10) . . . . ?
C118 C119 C123 N15 -177.0(9) . . . . ?
C120 C119 C123 N15 2.0(8) . . . . ?
C128 N16 C124 C125 -4.3(13) . . . . ?
Rh8 N16 C124 C125 172.2(7) . . . . ?
N16 C124 C125 C126 1.1(13) . . . . ?
C124 C125 C126 C127 1.1(13) . . . . ?
C124 C125 C126 C121 -176.1(8) . . . . ?
C120 C121 C126 C127 2.9(15) . . . . ?
N15 C121 C126 C127 -176.3(9) . . . . ?
C120 C121 C126 C125 180.0(9) . . . . ?
N15 C121 C126 C125 0.8(13) . . . . ?
C125 C126 C127 C128 -0.1(15) . . . . ?
C121 C126 C127 C128 177.1(9) . . . . ?
C126 C127 C128 N16 -3.1(16) . . . . ?
C124 N16 C128 C127 5.2(14) . . . . ?
Rh8 N16 C128 C127 -171.3(8) . . . . ?
C133 C129 C130 C131 -1.5(11) . . . . ?
C134 C129 C130 C131 178.1(11) . . . . ?
Rh5 C129 C130 C131 59.1(7) . . . . ?
C133 C129 C130 C135 -178.4(9) . . . . ?
C134 C129 C130 C135 1.3(17) . . . . ?
Rh5 C129 C130 C135 -117.8(9) . . . . ?
C133 C129 C130 Rh5 -60.6(7) . . . . ?
C134 C129 C130 Rh5 119.1(12) . . . . ?
C129 C130 C131 C132 0.8(11) . . . . ?
C135 C130 C131 C132 177.4(10) . . . . ?
Rh5 C130 C131 C132 60.3(7) . . . . ?
C129 C130 C131 C136 -176.7(10) . . . . ?
C135 C130 C131 C136 -0.1(16) . . . . ?
Rh5 C130 C131 C136 -117.1(11) . . . . ?
C129 C130 C131 Rh5 -59.6(7) . . . . ?
C135 C130 C131 Rh5 117.0(10) . . . . ?
C130 C131 C132 C133 0.3(13) . . . . ?
C136 C131 C132 C133 177.6(11) . . . . ?
Rh5 C131 C132 C133 63.5(9) . . . . ?
C130 C131 C132 C137 175.8(12) . . . . ?
C136 C131 C132 C137 -6.9(19) . . . . ?
Rh5 C131 C132 C137 -120.9(13) . . . . ?
C130 C131 C132 Rh5 -63.2(7) . . . . ?
C136 C131 C132 Rh5 114.1(12) . . . . ?
C131 C132 C133 C129 -1.3(14) . . . . ?
C137 C132 C133 C129 -176.5(13) . . . . ?
Rh5 C132 C133 C129 61.3(8) . . . . ?
C131 C132 C133 C138 179.1(11) . . . . ?
C137 C132 C133 C138 4(2) . . . . ?
Rh5 C132 C133 C138 -118.3(12) . . . . ?
C131 C132 C133 Rh5 -62.6(8) . . . . ?
C137 C132 C133 Rh5 122.3(14) . . . . ?
C134 C129 C133 C132 -178.0(12) . . . . ?
C130 C129 C133 C132 1.7(13) . . . . ?
Rh5 C129 C133 C132 -59.2(9) . . . . ?
C134 C129 C133 C138 1.6(19) . . . . ?
C130 C129 C133 C138 -178.7(11) . . . . ?
Rh5 C129 C133 C138 120.4(12) . . . . ?
C134 C129 C133 Rh5 -118.7(12) . . . . ?
C130 C129 C133 Rh5 61.0(7) . . . . ?
C143 C139 C140 C141 -3.9(8) . . . . ?
C144 C139 C140 C141 -180.0(8) . . . . ?
Rh6 C139 C140 C141 59.4(5) . . . . ?
C143 C139 C140 C145 -178.7(8) . . . . ?
C144 C139 C140 C145 5.3(13) . . . . ?
Rh6 C139 C140 C145 -115.3(8) . . . . ?
C143 C139 C140 Rh6 -63.4(5) . . . . ?
C144 C139 C140 Rh6 120.6(9) . . . . ?
C139 C140 C141 C142 2.4(9) . . . . ?
C145 C140 C141 C142 177.2(8) . . . . ?
Rh6 C140 C141 C142 60.9(5) . . . . ?
C139 C140 C141 C146 -178.8(8) . . . . ?
C145 C140 C141 C146 -4.1(13) . . . . ?
Rh6 C140 C141 C146 -120.4(8) . . . . ?
C139 C140 C141 Rh6 -58.5(5) . . . . ?
C145 C140 C141 Rh6 116.3(8) . . . . ?
C140 C141 C142 C143 0.1(9) . . . . ?
C146 C141 C142 C143 -178.6(8) . . . . ?
Rh6 C141 C142 C143 62.2(5) . . . . ?
C140 C141 C142 C147 177.6(9) . . . . ?
C146 C141 C142 C147 -1.1(14) . . . . ?
Rh6 C141 C142 C147 -120.3(9) . . . . ?
C140 C141 C142 Rh6 -62.1(6) . . . . ?
C146 C141 C142 Rh6 119.2(8) . . . . ?
C141 C142 C143 C139 -2.5(8) . . . . ?
C147 C142 C143 C139 179.9(9) . . . . ?
Rh6 C142 C143 C139 59.3(5) . . . . ?
C141 C142 C143 C148 -179.8(9) . . . . ?
C147 C142 C143 C148 2.6(15) . . . . ?
Rh6 C142 C143 C148 -118.0(10) . . . . ?
C141 C142 C143 Rh6 -61.8(5) . . . . ?
C147 C142 C143 Rh6 120.7(9) . . . . ?
C140 C139 C143 C142 3.9(8) . . . . ?
C144 C139 C143 C142 179.8(9) . . . . ?
Rh6 C139 C143 C142 -59.6(5) . . . . ?
C140 C139 C143 C148 -178.6(8) . . . . ?
C144 C139 C143 C148 -2.7(14) . . . . ?
Rh6 C139 C143 C148 117.9(9) . . . . ?
C140 C139 C143 Rh6 63.6(5) . . . . ?
C144 C139 C143 Rh6 -120.6(9) . . . . ?
C153 C149 C150 C151 4.6(13) . . . . ?
C154 C149 C150 C151 178.1(11) . . . . ?
Rh7 C149 C150 C151 64.4(7) . . . . ?
C153 C149 C150 C155 -176.9(13) . . . . ?
C154 C149 C150 C155 -3.3(19) . . . . ?
Rh7 C149 C150 C155 -117.1(13) . . . . ?
C153 C149 C150 Rh7 -59.8(8) . . . . ?
C154 C149 C150 Rh7 113.7(12) . . . . ?
C149 C150 C151 C152 -5.1(13) . . . . ?
C155 C150 C151 C152 176.2(11) . . . . ?
Rh7 C150 C151 C152 57.7(9) . . . . ?
C149 C150 C151 C156 -177.1(10) . . . . ?
C155 C150 C151 C156 4.2(17) . . . . ?
Rh7 C150 C151 C156 -114.2(11) . . . . ?
C149 C150 C151 Rh7 -62.8(7) . . . . ?
C155 C150 C151 Rh7 118.4(11) . . . . ?
C150 C151 C152 C153 3.5(14) . . . . ?
C156 C151 C152 C153 175.9(10) . . . . ?
Rh7 C151 C152 C153 60.4(9) . . . . ?
C150 C151 C152 C157 179.9(13) . . . . ?
C156 C151 C152 C157 -8(2) . . . . ?
Rh7 C151 C152 C157 -123.3(16) . . . . ?
C150 C151 C152 Rh7 -56.9(8) . . . . ?
C156 C151 C152 Rh7 115.5(11) . . . . ?
C150 C149 C153 C152 -2.7(14) . . . . ?
C154 C149 C153 C152 -174.9(14) . . . . ?
Rh7 C149 C153 C152 -63.5(8) . . . . ?
C150 C149 C153 C158 -179.7(13) . . . . ?
C154 C149 C153 C158 8(2) . . . . ?
Rh7 C149 C153 C158 119.5(14) . . . . ?
C150 C149 C153 Rh7 60.8(8) . . . . ?
C154 C149 C153 Rh7 -111.5(15) . . . . ?
C151 C152 C153 C149 -0.5(14) . . . . ?
C157 C152 C153 C149 -177.4(12) . . . . ?
Rh7 C152 C153 C149 63.3(9) . . . . ?
C151 C152 C153 C158 176.5(13) . . . . ?
C157 C152 C153 C158 0(2) . . . . ?
Rh7 C152 C153 C158 -119.8(14) . . . . ?
C151 C152 C153 Rh7 -63.7(9) . . . . ?
C157 C152 C153 Rh7 119.4(12) . . . . ?
C163 C159 C160 C161 -0.8(15) . . . . ?
C164 C159 C160 C161 176.0(14) . . . . ?
Rh8 C159 C160 C161 60.2(8) . . . . ?
C163 C159 C160 C165 -178.5(12) . . . . ?
C164 C159 C160 C165 -2(2) . . . . ?
Rh8 C159 C160 C165 -117.5(13) . . . . ?
C163 C159 C160 Rh8 -61.0(10) . . . . ?
C164 C159 C160 Rh8 115.7(16) . . . . ?
C159 C160 C161 C162 0.8(13) . . . . ?
C165 C160 C161 C162 178.6(11) . . . . ?
Rh8 C160 C161 C162 61.0(7) . . . . ?
C159 C160 C161 C166 178.0(11) . . . . ?
C165 C160 C161 C166 -4.2(18) . . . . ?
Rh8 C160 C161 C166 -121.7(11) . . . . ?
C159 C160 C161 Rh8 -60.3(9) . . . . ?
C165 C160 C161 Rh8 117.6(12) . . . . ?
C160 C161 C162 C167 176.8(11) . . . . ?
C166 C161 C162 C167 -0.5(18) . . . . ?
Rh8 C161 C162 C167 -121.9(12) . . . . ?
C160 C161 C162 C163 -0.5(11) . . . . ?
C166 C161 C162 C163 -177.8(10) . . . . ?
Rh8 C161 C162 C163 60.8(7) . . . . ?
C160 C161 C162 Rh8 -61.3(7) . . . . ?
C166 C161 C162 Rh8 121.4(10) . . . . ?
C160 C159 C163 C168 176.5(13) . . . . ?
C164 C159 C163 C168 0(2) . . . . ?
Rh8 C159 C163 C168 114.9(14) . . . . ?
C160 C159 C163 C162 0.4(15) . . . . ?
C164 C159 C163 C162 -176.4(14) . . . . ?
Rh8 C159 C163 C162 -61.1(8) . . . . ?
C160 C159 C163 Rh8 61.6(10) . . . . ?
C164 C159 C163 Rh8 -115.3(15) . . . . ?
C167 C162 C163 C159 -177.3(12) . . . . ?
C161 C162 C163 C159 0.1(12) . . . . ?
Rh8 C162 C163 C159 61.0(9) . . . . ?
C167 C162 C163 C168 6.2(18) . . . . ?
C161 C162 C163 C168 -176.4(11) . . . . ?
Rh8 C162 C163 C168 -115.5(12) . . . . ?
C167 C162 C163 Rh8 121.6(11) . . . . ?
C161 C162 C163 Rh8 -61.0(7) . . . . ?
O25 S1 C169 F2 -69.6(19) . . . . ?
O26 S1 C169 F2 61.2(18) . . . . ?
O27 S1 C169 F2 175.6(16) . . . . ?
O25 S1 C169 F3 52.8(19) . . . . ?
O26 S1 C169 F3 -176.4(16) . . . . ?
O27 S1 C169 F3 -61.9(18) . . . . ?
O25 S1 C169 F1 172.0(17) . . . . ?
O26 S1 C169 F1 -57.1(19) . . . . ?
O27 S1 C169 F1 57.3(18) . . . . ?
O29 S2 C170 F4 68.8(18) . . . . ?
O28 S2 C170 F4 -66.8(17) . . . . ?
O30 S2 C170 F4 -178.4(16) . . . . ?
O29 S2 C170 F6 -43.9(18) . . . . ?
O28 S2 C170 F6 -179.6(15) . . . . ?
O30 S2 C170 F6 68.9(17) . . . . ?
O29 S2 C170 F5 -178.2(15) . . . . ?
O28 S2 C170 F5 46.2(16) . . . . ?
O30 S2 C170 F5 -65.4(16) . . . . ?
O31 S3 C171 F7 -178.6(12) . . . . ?
O32 S3 C171 F7 -62.2(14) . . . . ?
O33 S3 C171 F7 60.0(13) . . . . ?
O31 S3 C171 F8 -61.0(13) . . . . ?
O32 S3 C171 F8 55.5(13) . . . . ?
O33 S3 C171 F8 177.6(12) . . . . ?
O31 S3 C171 F9 60.7(14) . . . . ?
O32 S3 C171 F9 177.2(14) . . . . ?
O33 S3 C171 F9 -60.7(14) . . . . ?
O36 S4 C172 F11 -51(2) . . . . ?
O35 S4 C172 F11 -174.2(16) . . . . ?
O34 S4 C172 F11 62.3(19) . . . . ?
O36 S4 C172 F12 71.6(19) . . . . ?
O35 S4 C172 F12 -51.3(18) . . . . ?
O34 S4 C172 F12 -174.7(15) . . . . ?
O36 S4 C172 F10 -173.9(16) . . . . ?
O35 S4 C172 F10 63.2(14) . . . . ?
O34 S4 C172 F10 -60.3(13) . . . . ?
O37 S5 C173 F14 -174.1(17) . . . . ?
O39 S5 C173 F14 52.9(19) . . . . ?
O38 S5 C173 F14 -58.4(18) . . . . ?
O37 S5 C173 F13 64.9(17) . . . . ?
O39 S5 C173 F13 -68.1(17) . . . . ?
O38 S5 C173 F13 -179.4(14) . . . . ?
O37 S5 C173 F15 -54(2) . . . . ?
O39 S5 C173 F15 173(2) . . . . ?
O38 S5 C173 F15 62(2) . . . . ?
O40 S6 C174 F17 -176.6(17) . . . . ?
O41 S6 C174 F17 -53.0(17) . . . . ?
O42 S6 C174 F17 61.5(18) . . . . ?
O40 S6 C174 F16 51.9(18) . . . . ?
O41 S6 C174 F16 175.4(14) . . . . ?
O42 S6 C174 F16 -70.1(16) . . . . ?
O40 S6 C174 F18 -59.2(16) . . . . ?
O41 S6 C174 F18 64.4(13) . . . . ?
O42 S6 C174 F18 178.9(16) . . . . ?
O49 C177 N17 C178 1(3) . . . . ?
O49 C177 N17 C179 -173.2(18) . . . . ?
O50 C180 N18 C181 -2.8(19) . . . . ?
O50 C180 N18 C182 173.1(13) . . . . ?
O51 C183 N19 C184 179.4(11) . . . . ?
O51 C183 N19 C185 4(2) . . . . ?
