#------------------------------------------------------------------------------
#$Date: 2020-09-22 04:21:16 +0300 (Tue, 22 Sep 2020) $
#$Revision: 256606 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/91/1559133.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_1559133
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            'C103 H107.5 F12 N12.5 O21.5 Rh4 S7'
_chemical_formula_weight         2728.57
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 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                90
_cell_angle_beta                 103.301(3)
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   67.429(5)
_cell_length_b                   23.8798(16)
_cell_length_c                   29.2782(19)
_cell_measurement_reflns_used    9679
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      54.86
_cell_measurement_theta_min      3.28
_cell_volume                     45879(5)
_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 0.999
_diffrn_measured_fraction_theta_max 0.995
_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  0.0540
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       82
_diffrn_reflns_limit_h_min       -82
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            200019
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.995
_diffrn_reflns_theta_min         3.141
_exptl_absorpt_coefficient_mu    4.400
_exptl_absorpt_correction_T_max  0.657
_exptl_absorpt_correction_T_min  0.367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.580
_exptl_crystal_description       block
_exptl_crystal_F_000             22160
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         2.775
_refine_diff_density_min         -1.220
_refine_diff_density_rms         0.120
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2419
_refine_ls_number_reflns         43546
_refine_ls_number_restraints     866
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1009
_refine_ls_R_factor_gt           0.0907
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1736P)²+184.5583P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2814
_refine_ls_wR_factor_ref         0.2944
_reflns_Friedel_coverage         0.000
_reflns_number_gt                35704
_reflns_number_total             43546
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc04523c2.cif
_cod_data_source_block           Hetero-6
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C103 H107.50 F12 N12.50 O21.50 Rh4 S7'
_cod_database_code               1559133
_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   0.272
_shelx_estimated_absorpt_t_max   0.473
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.58583(2) -0.04642(2) 0.67989(2) 0.07660(16) Uani 1 1 d . . . . .
Rh2 Rh 0.53109(2) -0.08207(3) 0.40966(2) 0.08371(17) Uani 1 1 d . . . . .
Rh3 Rh 0.67671(2) 0.50399(3) 0.49638(2) 0.0949(2) Uani 1 1 d . . . . .
Rh4 Rh 0.69929(2) 0.31861(3) 0.28763(2) 0.09032(19) Uani 1 1 d . . . . .
Rh5 Rh 0.58627(2) 0.56005(3) 0.33216(2) 0.1069(2) Uani 1 1 d . . . . .
Rh6 Rh 0.53943(2) 0.59210(4) 0.55577(3) 0.1209(3) Uani 1 1 d . . . . .
Rh7 Rh 0.67025(2) -0.01576(2) 0.58495(2) 0.07713(15) Uani 1 1 d . . . . .
Rh8 Rh 0.70808(2) 0.16815(3) 0.81550(2) 0.1007(2) Uani 1 1 d . . . . .
N1 N 0.59544(8) 0.0327(2) 0.65899(17) 0.0699(12) Uani 1 1 d . . . . .
N4 N 0.66786(12) 0.4273(3) 0.5228(2) 0.0898(18) Uani 1 1 d . . . . .
N5 N 0.55172(10) -0.0174(3) 0.4021(2) 0.0847(16) Uani 1 1 d . . . . .
N8 N 0.68127(11) 0.2647(3) 0.3179(2) 0.0865(16) Uani 1 1 d . . . . .
N9 N 0.59488(12) 0.4776(3) 0.3577(2) 0.0906(17) Uani 1 1 d . . . . .
N12 N 0.66130(11) 0.0614(3) 0.5496(2) 0.0831(15) Uani 1 1 d . . . . .
N13 N 0.55874(17) 0.5245(4) 0.5850(3) 0.123(3) Uani 1 1 d . . . . .
N16 N 0.68733(15) 0.2181(3) 0.7683(3) 0.107(2) Uani 1 1 d . . . . .
O1 O 0.55862(7) -0.0259(2) 0.63084(16) 0.0788(11) Uani 1 1 d . . . . .
O2 O 0.59067(8) -0.0814(2) 0.61709(17) 0.0807(12) Uani 1 1 d . . . . .
O3 O 0.55610(8) -0.1134(2) 0.46177(17) 0.0864(13) Uani 1 1 d . . . . .
O4 O 0.52783(8) -0.0398(2) 0.47136(16) 0.0858(13) Uani 1 1 d . . . . .
O7 O 0.66309(9) 0.4778(2) 0.42713(19) 0.0901(14) Uani 1 1 d . . . . .
O8 O 0.69981(9) 0.4560(2) 0.47759(19) 0.0954(15) Uani 1 1 d . . . . .
O9 O 0.71297(9) 0.3439(2) 0.3566(2) 0.0942(15) Uani 1 1 d . . . . .
O10 O 0.67933(9) 0.3807(2) 0.30161(18) 0.0899(14) Uani 1 1 d . . . . .
O11 O 0.56046(11) 0.5429(3) 0.3565(2) 0.1111(19) Uani 1 1 d . . . . .
O12 O 0.59419(11) 0.5879(3) 0.4024(2) 0.1070(18) Uani 1 1 d . . . . .
O13 O 0.56504(12) 0.6172(3) 0.5296(2) 0.1113(18) Uani 1 1 d . . . . .
O14 O 0.53466(12) 0.5497(4) 0.4905(3) 0.124(2) Uani 1 1 d . . . . .
O15 O 0.66101(7) 0.0132(2) 0.64512(18) 0.0777(11) Uani 1 1 d . . . . .
O16 O 0.69590(8) 0.0290(2) 0.62228(17) 0.0791(11) Uani 1 1 d . . . . .
O17 O 0.71814(8) 0.1394(2) 0.75716(19) 0.0920(14) Uani 1 1 d . . . . .
O18 O 0.68679(8) 0.1037(3) 0.78827(17) 0.0904(14) Uani 1 1 d . . . . .
O21 O 0.80119(16) 0.4338(6) 0.5700(4) 0.188(5) Uani 1 1 d D . . . .
O22 O 0.7851(3) 0.3599(8) 0.5271(9) 0.315(11) Uani 1 1 d D U . . .
O23 O 0.7757(4) 0.4607(11) 0.5048(8) 0.381(14) Uani 1 1 d D U . . .
O24 O 0.6198(5) 0.4088(14) 0.1913(11) 0.392(16) Uani 1 1 d . U . . .
O25 O 0.6334(3) 0.3252(7) 0.2072(4) 0.240(7) Uani 1 1 d . U . . .
O26 O 0.5977(3) 0.3510(8) 0.1669(5) 0.282(9) Uani 1 1 d D U . . .
S3 S 0.60252(3) 0.19500(8) 0.33105(7) 0.0869(5) Uani 1 1 d . . . . .
S4 S 0.63107(3) 0.05572(9) 0.40049(7) 0.0874(5) Uani 1 1 d . . . . .
S7 S 0.60683(6) 0.30069(13) 0.69733(10) 0.1291(10) Uani 1 1 d . . . . .
S8 S 0.63508(7) 0.43244(16) 0.64602(11) 0.1458(12) Uani 1 1 d . U . . .
S9 S 0.78417(6) 0.4174(3) 0.53907(13) 0.1630(16) Uani 1 1 d D U . . .
S10 S 0.61630(16) 0.3636(4) 0.2042(3) 0.262(4) Uani 1 1 d D . . . .
F1 F 0.74637(16) 0.3977(9) 0.5322(6) 0.297(9) Uani 1 1 d D . . . .
F2 F 0.7689(2) 0.3712(9) 0.5993(7) 0.307(10) Uani 1 1 d D . . . .
F3 F 0.7589(2) 0.4552(7) 0.5822(6) 0.251(7) Uani 1 1 d D . . . .
F4 F 0.6224(2) 0.3599(9) 0.2919(4) 0.311(11) Uani 1 1 d . . . . .
F5 F 0.5919(2) 0.3826(7) 0.2572(5) 0.249(6) Uani 1 1 d . U . . .
F6 F 0.6044(3) 0.2965(6) 0.2535(7) 0.284(8) Uani 1 1 d . . . . .
S1 S 0.60926(13) 0.2824(6) 0.5696(7) 0.076(2) Uani 0.446(8) 1 d D U P A 1
S2 S 0.65796(11) 0.1794(3) 0.6300(2) 0.0739(17) Uani 0.446(8) 1 d D U P A 1
C18 C 0.5988(8) 0.2241(15) 0.5922(18) 0.064(4) Uani 0.446(8) 1 d . U P A 1
H18 H 0.5847 0.2190 0.5909 0.077 Uiso 0.446(8) 1 calc R U P A 1
C23 C 0.6648(3) 0.2355(14) 0.602(2) 0.086(6) Uani 0.446(8) 1 d D U P A 1
H23 H 0.6784 0.2377 0.5980 0.103 Uiso 0.446(8) 1 calc R U P A 1
N2 N 0.5998(5) 0.2342(10) 0.5894(12) 0.074(5) Uani 0.554(8) 1 d D U P A 2
H2 H 0.5865 0.2341 0.5857 0.089 Uiso 0.554(8) 1 calc R U P A 2
N3 N 0.6648(3) 0.2412(9) 0.6064(13) 0.088(5) Uani 0.554(8) 1 d D U P A 2
H3 H 0.6781 0.2439 0.6118 0.105 Uiso 0.554(8) 1 calc R U P A 2
O5 O 0.59850(17) 0.3171(4) 0.5539(4) 0.093(3) Uani 0.554(8) 1 d D U P A 2
O6 O 0.66259(19) 0.1571(5) 0.6367(5) 0.074(3) Uani 0.554(8) 1 d D U P A 2
C18' C 0.6108(3) 0.2779(17) 0.575(2) 0.068(6) Uani 0.554(8) 1 d D U P A 2
C23' C 0.6542(2) 0.1985(7) 0.6194(8) 0.084(5) Uani 0.554(8) 1 d D U P A 2
S5 S 0.60346(9) 0.2222(4) 0.4563(5) 0.0765(14) Uani 0.554(8) 1 d . U P A 1
S6 S 0.65354(9) 0.3106(2) 0.43320(17) 0.0787(14) Uani 0.554(8) 1 d . U P A 1
C102 C 0.5938(4) 0.2863(10) 0.4318(10) 0.085(5) Uani 0.554(8) 1 d . U P A 1
H102 H 0.5802 0.2993 0.4287 0.102 Uiso 0.554(8) 1 calc R U P A 1
C107 C 0.6636(4) 0.2507(14) 0.4637(13) 0.078(5) Uani 0.554(8) 1 d . U P A 1
H107 H 0.6777 0.2416 0.4725 0.093 Uiso 0.554(8) 1 calc R U P A 1
O19 O 0.5941(2) 0.1900(7) 0.4623(5) 0.108(4) Uani 0.446(8) 1 d D U P A 2
O20 O 0.6605(2) 0.3325(7) 0.4319(6) 0.086(4) Uani 0.446(8) 1 d D U P A 2
N10 N 0.5949(3) 0.2737(7) 0.4257(8) 0.072(4) Uani 0.446(8) 1 d D U P A 2
H10 H 0.5816 0.2758 0.4152 0.086 Uiso 0.446(8) 1 calc R U P A 2
N11 N 0.6584(4) 0.2479(13) 0.4636(14) 0.078(5) Uani 0.446(8) 1 d D U P A 2
H11 H 0.6717 0.2422 0.4709 0.094 Uiso 0.446(8) 1 calc R U P A 2
C202 C 0.6051(3) 0.2300(18) 0.453(3) 0.071(6) Uani 0.446(8) 1 d D U P A 2
C207 C 0.6497(3) 0.2943(10) 0.4394(10) 0.076(5) Uani 0.446(8) 1 d D U P A 2
C1 C 0.55793(11) -0.0415(3) 0.5890(2) 0.0742(16) Uani 1 1 d . . . . .
C2 C 0.57555(11) -0.0765(3) 0.5820(2) 0.0730(15) Uani 1 1 d . . . . .
C3 C 0.57487(12) -0.1010(3) 0.5383(3) 0.0798(17) Uani 1 1 d . . . . .
H3A H 0.5858 -0.1241 0.5340 0.096 Uiso 1 1 calc R U . . .
C4 C 0.55849(11) -0.0917(3) 0.5019(2) 0.0780(17) Uani 1 1 d . . . . .
C5 C 0.54216(11) -0.0511(3) 0.5075(2) 0.0804(18) Uani 1 1 d . . . . .
C6 C 0.54228(11) -0.0273(3) 0.5517(2) 0.0798(17) Uani 1 1 d . . . . .
H6 H 0.5319 -0.0022 0.5555 0.096 Uiso 1 1 calc R U . . .
C7 C 0.67461(13) 0.4480(3) 0.4075(3) 0.0835(19) Uani 1 1 d . . . . .
C8 C 0.69611(14) 0.4327(4) 0.4381(3) 0.089(2) Uani 1 1 d . . . . .
C9 C 0.70826(14) 0.3969(4) 0.4220(3) 0.100(2) Uani 1 1 d . . . . .
H9 H 0.7207 0.3848 0.4421 0.119 Uiso 1 1 calc R U . . .
C10 C 0.70255(13) 0.3773(3) 0.3750(3) 0.087(2) Uani 1 1 d . . . . .
C11 C 0.68278(13) 0.3969(3) 0.3437(3) 0.0819(18) Uani 1 1 d . . . . .
C12 C 0.66933(13) 0.4305(3) 0.3607(3) 0.0837(19) Uani 1 1 d . . . . .
H12 H 0.6567 0.4414 0.3408 0.100 Uiso 1 1 calc R U . . .
C13 C 0.61441(11) 0.0404(3) 0.6522(2) 0.0720(15) Uani 1 1 d . . . . .
H13 H 0.6236 0.0098 0.6576 0.086 Uiso 1 1 calc R U . . .
C14 C 0.62091(11) 0.0902(3) 0.6378(2) 0.0740(16) Uani 1 1 d . . . . .
H14 H 0.6344 0.0936 0.6335 0.089 Uiso 1 1 calc R U . . .
C15 C 0.60767(11) 0.1362(3) 0.6294(2) 0.0703(15) Uani 1 1 d . . . . .
C16 C 0.58807(11) 0.1270(3) 0.6384(3) 0.0792(17) Uani 1 1 d . . . . .
H16 H 0.5785 0.1568 0.6345 0.095 Uiso 1 1 calc R U . . .
C17 C 0.58297(12) 0.0764(3) 0.6526(2) 0.0822(18) Uani 1 1 d . . . . .
H17 H 0.5698 0.0718 0.6583 0.099 Uiso 1 1 calc R U . . .
C19 C 0.61328(11) 0.1882(3) 0.6114(2) 0.0701(15) Uani 1 1 d . . . . .
C20 C 0.63308(11) 0.2076(3) 0.6086(2) 0.0734(16) Uani 1 1 d D . . . .
C21 C 0.63197(12) 0.2589(3) 0.5864(2) 0.086(2) Uani 1 1 d D . . . .
C22 C 0.65138(14) 0.2785(3) 0.5838(2) 0.090(2) Uani 1 1 d D . . . .
C24 C 0.64828(17) 0.4137(3) 0.5191(3) 0.096(2) Uani 1 1 d . . . . .
H24 H 0.6381 0.4383 0.5021 0.115 Uiso 1 1 calc R U . . .
C25 C 0.64209(15) 0.3666(3) 0.5382(3) 0.091(2) Uani 1 1 d . . . . .
H25 H 0.6280 0.3590 0.5350 0.109 Uiso 1 1 calc R U . . .
C26 C 0.65727(15) 0.3288(3) 0.5633(3) 0.091(2) Uani 1 1 d . . . . .
C27 C 0.67733(17) 0.3436(4) 0.5664(3) 0.102(2) Uani 1 1 d . . . . .
H27 H 0.6880 0.3201 0.5827 0.123 Uiso 1 1 calc R U . . .
C28 C 0.68187(17) 0.3924(4) 0.5460(3) 0.105(3) Uani 1 1 d . . . . .
H28 H 0.6958 0.4016 0.5487 0.125 Uiso 1 1 calc R U . . .
C29 C 0.57096(13) -0.0306(3) 0.4022(3) 0.0865(19) Uani 1 1 d . . . . .
H29 H 0.5756 -0.0678 0.4097 0.104 Uiso 1 1 calc R U . . .
C30 C 0.58432(13) 0.0090(3) 0.3918(3) 0.0852(19) Uani 1 1 d . . . . .
H30 H 0.5980 -0.0010 0.3922 0.102 Uiso 1 1 calc R U . . .
C31 C 0.57760(12) 0.0631(3) 0.3806(2) 0.0756(16) Uani 1 1 d . . . . .
C32 C 0.55744(15) 0.0745(4) 0.3814(3) 0.097(2) Uani 1 1 d . . . . .
H32 H 0.5522 0.1112 0.3742 0.116 Uiso 1 1 calc R U . . .
C33 C 0.54532(14) 0.0351(4) 0.3922(3) 0.095(2) Uani 1 1 d . . . . .
H33 H 0.5317 0.0446 0.3929 0.113 Uiso 1 1 calc R U . . .
C34 C 0.58407(13) 0.1545(3) 0.3437(3) 0.0834(18) Uani 1 1 d . . . . .
H34 H 0.5701 0.1646 0.3357 0.100 Uiso 1 1 calc R U . . .
C35 C 0.59095(11) 0.1054(3) 0.3666(2) 0.0740(16) Uani 1 1 d . . . . .
C36 C 0.61259(12) 0.1023(3) 0.3735(2) 0.0745(16) Uani 1 1 d . . . . .
C37 C 0.62117(11) 0.1484(3) 0.3559(2) 0.0743(16) Uani 1 1 d . . . . .
C38 C 0.64303(11) 0.1460(3) 0.3653(2) 0.0752(16) Uani 1 1 d . . . . .
C39 C 0.64978(13) 0.0987(3) 0.3892(2) 0.0845(19) Uani 1 1 d . . . . .
H39 H 0.6639 0.0899 0.3990 0.101 Uiso 1 1 calc R U . . .
C40 C 0.66137(14) 0.2656(4) 0.3028(3) 0.093(2) Uani 1 1 d . . . . .
H40 H 0.6556 0.2932 0.2803 0.112 Uiso 1 1 calc R U . . .
C41 C 0.64841(12) 0.2295(3) 0.3171(3) 0.0862(19) Uani 1 1 d . . . . .
H41 H 0.6341 0.2325 0.3046 0.103 Uiso 1 1 calc R U . . .
C42 C 0.65605(12) 0.1882(3) 0.3503(2) 0.0787(17) Uani 1 1 d . . . . .
C43 C 0.67727(12) 0.1880(3) 0.3670(2) 0.0814(18) Uani 1 1 d . . . . .
H43 H 0.6835 0.1614 0.3900 0.098 Uiso 1 1 calc R U . . .
C44 C 0.68911(12) 0.2256(3) 0.3505(3) 0.0849(19) Uani 1 1 d . . . . .
H44 H 0.7035 0.2243 0.3623 0.102 Uiso 1 1 calc R U . . .
C45 C 0.60607(15) -0.0542(5) 0.7474(3) 0.103(3) Uani 1 1 d . . . . .
C46 C 0.58775(18) -0.0294(5) 0.7522(3) 0.107(3) Uani 1 1 d D . . . .
C47 C 0.57215(16) -0.0705(5) 0.7358(3) 0.109(3) Uani 1 1 d . . . . .
C48 C 0.58066(18) -0.1179(5) 0.7185(4) 0.122(4) Uani 1 1 d . . . . .
C49 C 0.60251(15) -0.1070(6) 0.7274(3) 0.115(3) Uani 1 1 d . . . . .
C50 C 0.62660(18) -0.0262(7) 0.7625(4) 0.148(5) Uani 1 1 d . . . . .
H50A H 0.6317 -0.0310 0.7964 0.222 Uiso 1 1 calc R U . . .
H50B H 0.6252 0.0138 0.7551 0.222 Uiso 1 1 calc R U . . .
H50C H 0.6362 -0.0432 0.7460 0.222 Uiso 1 1 calc R U . . .
C51 C 0.5847(3) 0.0273(6) 0.7728(4) 0.174(7) Uani 1 1 d D . . . .
H51A H 0.5927 0.0292 0.8053 0.261 Uiso 1 1 calc R U . . .
H51B H 0.5702 0.0326 0.7722 0.261 Uiso 1 1 calc R U . . .
H51C H 0.5892 0.0568 0.7543 0.261 Uiso 1 1 calc R U . . .
C52 C 0.55039(16) -0.0629(8) 0.7347(4) 0.159(6) Uani 1 1 d . . . . .
H52A H 0.5422 -0.0812 0.7067 0.239 Uiso 1 1 calc R U . . .
H52B H 0.5472 -0.0228 0.7338 0.239 Uiso 1 1 calc R U . . .
H52C H 0.5473 -0.0796 0.7628 0.239 Uiso 1 1 calc R U . . .
C53 C 0.5704(3) -0.1724(6) 0.6975(6) 0.183(7) Uani 1 1 d . . . . .
H53A H 0.5616 -0.1865 0.7172 0.275 Uiso 1 1 calc R U . . .
H53B H 0.5809 -0.2003 0.6959 0.275 Uiso 1 1 calc R U . . .
H53C H 0.5622 -0.1651 0.6658 0.275 Uiso 1 1 calc R U . . .
C54 C 0.6173(2) -0.1470(6) 0.7145(5) 0.139(4) Uani 1 1 d . . . . .
H54A H 0.6312 -0.1350 0.7289 0.208 Uiso 1 1 calc R U . . .
H54B H 0.6154 -0.1479 0.6803 0.208 Uiso 1 1 calc R U . . .
H54C H 0.6150 -0.1845 0.7258 0.208 Uiso 1 1 calc R U . . .
C55 C 0.51920(15) -0.0936(4) 0.3359(3) 0.100(2) Uani 1 1 d . . . . .
C56 C 0.52662(18) -0.1455(4) 0.3584(3) 0.111(3) Uani 1 1 d . . . . .
C57 C 0.51417(18) -0.1572(4) 0.3923(3) 0.108(3) Uani 1 1 d . . . . .
C58 C 0.50052(16) -0.1143(4) 0.3920(3) 0.104(3) Uani 1 1 d . . . . .
C59 C 0.50263(15) -0.0730(4) 0.3577(3) 0.097(2) Uani 1 1 d . . . . .
C60 C 0.5268(2) -0.0670(5) 0.2994(3) 0.128(4) Uani 1 1 d . . . . .
H60A H 0.5172 -0.0730 0.2691 0.192 Uiso 1 1 calc R U . . .
H60B H 0.5401 -0.0832 0.2983 0.192 Uiso 1 1 calc R U . . .
H60C H 0.5284 -0.0268 0.3057 0.192 Uiso 1 1 calc R U . . .
C61 C 0.5423(2) -0.1815(7) 0.3480(5) 0.153(5) Uani 1 1 d . . . . .
H61A H 0.5359 -0.2112 0.3264 0.229 Uiso 1 1 calc R U . . .
H61B H 0.5501 -0.1984 0.3771 0.229 Uiso 1 1 calc R U . . .
H61C H 0.5514 -0.1595 0.3334 0.229 Uiso 1 1 calc R U . . .
C62 C 0.5163(3) -0.2081(6) 0.4264(5) 0.165(6) Uani 1 1 d . . . . .
H62A H 0.5156 -0.1950 0.4577 0.247 Uiso 1 1 calc R U . . .
H62B H 0.5294 -0.2266 0.4281 0.247 Uiso 1 1 calc R U . . .
H62C H 0.5052 -0.2347 0.4148 0.247 Uiso 1 1 calc R U . . .
C63 C 0.48539(19) -0.1113(5) 0.4215(4) 0.128(4) Uani 1 1 d . . . . .
H63A H 0.4826 -0.0720 0.4274 0.191 Uiso 1 1 calc R U . . .
H63B H 0.4908 -0.1305 0.4514 0.191 Uiso 1 1 calc R U . . .
H63C H 0.4727 -0.1296 0.4051 0.191 Uiso 1 1 calc R U . . .
C64 C 0.49062(17) -0.0240(6) 0.3452(4) 0.128(4) Uani 1 1 d . . . . .
H64A H 0.4767 -0.0348 0.3298 0.192 Uiso 1 1 calc R U . . .
H64B H 0.4964 -0.0013 0.3237 0.192 Uiso 1 1 calc R U . . .
H64C H 0.4905 -0.0023 0.3736 0.192 Uiso 1 1 calc R U . . .
C65 C 0.6680(2) 0.5559(4) 0.5470(4) 0.111(3) Uani 1 1 d D . . . .
C66 C 0.68874(18) 0.5542(4) 0.5561(3) 0.111(3) Uani 1 1 d D . . . .
C67 C 0.6959(2) 0.5748(5) 0.5208(5) 0.141(5) Uani 1 1 d D U . . .
C68 C 0.6792(2) 0.5912(4) 0.4853(4) 0.137(5) Uani 1 1 d D U . . .
C69 C 0.6614(2) 0.5797(4) 0.5015(5) 0.141(4) Uani 1 1 d D . . . .
C70 C 0.6564(3) 0.5362(6) 0.5813(6) 0.184(8) Uani 1 1 d . . . . .
H70A H 0.6657 0.5187 0.6082 0.276 Uiso 1 1 calc R U . . .
H70B H 0.6461 0.5088 0.5662 0.276 Uiso 1 1 calc R U . . .
H70C H 0.6496 0.5682 0.5922 0.276 Uiso 1 1 calc R U . . .
C71 C 0.7019(3) 0.5327(6) 0.6013(5) 0.170(6) Uani 1 1 d D . . . .
H71A H 0.7124 0.5077 0.5945 0.255 Uiso 1 1 calc R U . . .
H71B H 0.6934 0.5121 0.6187 0.255 Uiso 1 1 calc R U . . .
H71C H 0.7084 0.5644 0.6202 0.255 Uiso 1 1 calc R U . . .
C72 C 0.7189(3) 0.5793(8) 0.5149(8) 0.207(8) Uani 1 1 d . U . . .
H72A H 0.7244 0.6165 0.5249 0.311 Uiso 1 1 calc R U . . .
H72B H 0.7192 0.5734 0.4820 0.311 Uiso 1 1 calc R U . . .
H72C H 0.7273 0.5507 0.5344 0.311 Uiso 1 1 calc R U . . .
C73 C 0.6815(4) 0.6153(6) 0.4396(6) 0.221(9) Uani 1 1 d . U . . .
H73A H 0.6920 0.6442 0.4455 0.331 Uiso 1 1 calc R U . . .
H73B H 0.6685 0.6318 0.4230 0.331 Uiso 1 1 calc R U . . .
H73C H 0.6853 0.5855 0.4203 0.331 Uiso 1 1 calc R U . . .
C74 C 0.6415(4) 0.5932(9) 0.4718(10) 0.31(2) Uani 1 1 d . . . . .
H74A H 0.6324 0.5609 0.4703 0.469 Uiso 1 1 calc R U . . .
H74B H 0.6430 0.6024 0.4401 0.469 Uiso 1 1 calc R U . . .
H74C H 0.6357 0.6254 0.4849 0.469 Uiso 1 1 calc R U . . .
C75 C 0.69361(17) 0.2830(4) 0.2182(3) 0.107(3) Uani 1 1 d D . . . .
C76 C 0.6965(3) 0.3403(5) 0.2154(4) 0.135(4) Uani 1 1 d . . . . .
C77 C 0.7167(2) 0.3546(5) 0.2437(4) 0.133(4) Uani 1 1 d . . . . .
C78 C 0.72668(19) 0.3009(5) 0.2646(4) 0.123(4) Uani 1 1 d D . . . .
C79 C 0.71198(16) 0.2587(4) 0.2477(3) 0.104(3) Uani 1 1 d D . . . .
C80 C 0.67485(19) 0.2517(5) 0.1961(4) 0.126(4) Uani 1 1 d . . . . .
H80A H 0.6629 0.2743 0.1974 0.189 Uiso 1 1 calc R U . . .
H80B H 0.6744 0.2164 0.2130 0.189 Uiso 1 1 calc R U . . .
H80C H 0.6749 0.2436 0.1633 0.189 Uiso 1 1 calc R U . . .
C81 C 0.6827(3) 0.3813(6) 0.1915(4) 0.190(8) Uani 1 1 d . . . . .
H81A H 0.6808 0.3761 0.1575 0.285 Uiso 1 1 calc R U . . .
H81B H 0.6883 0.4187 0.2001 0.285 Uiso 1 1 calc R U . . .
H81C H 0.6696 0.3774 0.2002 0.285 Uiso 1 1 calc R U . . .
C82 C 0.7277(3) 0.4109(5) 0.2531(7) 0.190(8) Uani 1 1 d . . . . .
H82A H 0.7183 0.4410 0.2396 0.284 Uiso 1 1 calc R U . . .
H82B H 0.7394 0.4112 0.2386 0.284 Uiso 1 1 calc R U . . .
H82C H 0.7324 0.4165 0.2870 0.284 Uiso 1 1 calc R U . . .
C83 C 0.74723(18) 0.2957(7) 0.2977(5) 0.157(6) Uani 1 1 d D . . . .
H83A H 0.7516 0.2565 0.2994 0.235 Uiso 1 1 calc R U . . .
H83B H 0.7464 0.3086 0.3289 0.235 Uiso 1 1 calc R U . . .
H83C H 0.7571 0.3188 0.2863 0.235 Uiso 1 1 calc R U . . .
C84 C 0.71612(18) 0.1991(4) 0.2587(4) 0.117(3) Uani 1 1 d . . . . .
H84A H 0.7238 0.1833 0.2371 0.176 Uiso 1 1 calc R U . . .
H84B H 0.7032 0.1790 0.2553 0.176 Uiso 1 1 calc R U . . .
H84C H 0.7241 0.1954 0.2910 0.176 Uiso 1 1 calc R U . . .
C85 C 0.56100(15) 0.5547(4) 0.3984(3) 0.098(2) Uani 1 1 d . . . . .
C86 C 0.57999(18) 0.5832(4) 0.4245(3) 0.104(3) Uani 1 1 d . . . . .
C87 C 0.58166(18) 0.6051(4) 0.4702(4) 0.110(3) Uani 1 1 d . . . . .
H87 H 0.5935 0.6246 0.4860 0.132 Uiso 1 1 calc R U . . .
C88 C 0.56558(17) 0.5973(4) 0.4907(3) 0.104(3) Uani 1 1 d . . . . .
C89 C 0.54764(19) 0.5611(5) 0.4676(3) 0.114(3) Uani 1 1 d . . . . .
C90 C 0.54598(17) 0.5403(4) 0.4207(3) 0.107(3) Uani 1 1 d . . . . .
H90 H 0.5348 0.5174 0.4058 0.129 Uiso 1 1 calc R U . . .
C91 C 0.69389(11) 0.0514(3) 0.6604(3) 0.0765(16) Uani 1 1 d . . . . .
C92 C 0.67434(10) 0.0392(3) 0.6743(2) 0.0722(15) Uani 1 1 d . . . . .
C93 C 0.67226(12) 0.0570(3) 0.7193(3) 0.0801(18) Uani 1 1 d . . . . .
H93 H 0.6601 0.0485 0.7292 0.096 Uiso 1 1 calc R U . . .
C94 C 0.68723(11) 0.0859(3) 0.7483(2) 0.0768(17) Uani 1 1 d . . . . .
C95 C 0.70577(11) 0.1061(3) 0.7300(3) 0.0824(18) Uani 1 1 d . . . . .
C96 C 0.70872(12) 0.0854(3) 0.6881(3) 0.0823(18) Uani 1 1 d . . . . .
H96 H 0.7208 0.0944 0.6782 0.099 Uiso 1 1 calc R U . . .
C97 C 0.61333(16) 0.4647(4) 0.3795(3) 0.094(2) Uani 1 1 d . . . . .
H97 H 0.6235 0.4929 0.3829 0.113 Uiso 1 1 calc R U . . .
C98 C 0.61922(13) 0.4112(3) 0.3986(2) 0.0844(19) Uani 1 1 d . . . . .
H98 H 0.6330 0.4039 0.4137 0.101 Uiso 1 1 calc R U . . .
C99 C 0.60437(13) 0.3689(3) 0.3950(2) 0.0817(18) Uani 1 1 d . . . . .
C100 C 0.58435(14) 0.3826(4) 0.3706(3) 0.097(2) Uani 1 1 d . . . . .
H100 H 0.5737 0.3557 0.3661 0.116 Uiso 1 1 calc R U . . .
C101 C 0.58067(16) 0.4369(4) 0.3532(3) 0.104(3) Uani 1 1 d . . . . .
H101 H 0.5672 0.4459 0.3370 0.124 Uiso 1 1 calc R U . . .
C103 C 0.60903(13) 0.3146(3) 0.4177(2) 0.0822(19) Uani 1 1 d D . . . .
C104 C 0.62814(12) 0.2902(3) 0.4348(2) 0.0741(16) Uani 1 1 d D . . . .
C105 C 0.62706(12) 0.2387(3) 0.4567(2) 0.0788(17) Uani 1 1 d D . . . .
C106 C 0.64604(14) 0.2142(3) 0.4744(2) 0.086(2) Uani 1 1 d . . . . .
C108 C 0.64173(12) 0.0798(3) 0.5375(2) 0.0787(17) Uani 1 1 d . . . . .
H108 H 0.6313 0.0582 0.5461 0.094 Uiso 1 1 calc R U . . .
C109 C 0.63661(13) 0.1289(3) 0.5131(2) 0.0837(18) Uani 1 1 d . . . . .
H109 H 0.6227 0.1402 0.5050 0.100 Uiso 1 1 calc R U . . .
C110 C 0.65124(13) 0.1623(3) 0.5000(2) 0.0787(17) Uani 1 1 d . . . . .
C111 C 0.67113(14) 0.1425(3) 0.5120(3) 0.090(2) Uani 1 1 d . . . . .
H111 H 0.6817 0.1632 0.5030 0.108 Uiso 1 1 calc R U . . .
C112 C 0.67581(14) 0.0928(3) 0.5369(3) 0.090(2) Uani 1 1 d . . . . .
H112 H 0.6896 0.0807 0.5452 0.108 Uiso 1 1 calc R U . . .
C113 C 0.5778(2) 0.5328(5) 0.6037(4) 0.120(3) Uani 1 1 d . . . . .
H113 H 0.5831 0.5696 0.6029 0.144 Uiso 1 1 calc R U . . .
C114 C 0.59104(18) 0.4904(5) 0.6251(3) 0.113(3) Uani 1 1 d . . . . .
H114 H 0.6051 0.4977 0.6377 0.136 Uiso 1 1 calc R U . . .
C115 C 0.5829(2) 0.4376(5) 0.6272(3) 0.114(3) Uani 1 1 d . . . . .
C116 C 0.5619(2) 0.4282(5) 0.6063(4) 0.131(4) Uani 1 1 d . . . . .
H116 H 0.5559 0.3925 0.6070 0.157 Uiso 1 1 calc R U . . .
C117 C 0.5512(3) 0.4723(6) 0.5856(4) 0.148(5) Uani 1 1 d . . . . .
H117 H 0.5373 0.4663 0.5704 0.178 Uiso 1 1 calc R U . . .
C118 C 0.58833(17) 0.3430(4) 0.6698(3) 0.101(2) Uani 1 1 d . . . . .
H118 H 0.5743 0.3351 0.6668 0.121 Uiso 1 1 calc R U . . .
C119 C 0.59513(19) 0.3904(5) 0.6517(3) 0.117(3) Uani 1 1 d D . . . .
C120 C 0.61688(19) 0.3913(4) 0.6608(3) 0.109(3) Uani 1 1 d D U . . .
C121 C 0.62547(19) 0.3425(4) 0.6854(3) 0.108(3) Uani 1 1 d . . . . .
C122 C 0.6470(2) 0.3400(4) 0.6918(3) 0.114(3) Uani 1 1 d . . . . .
C123 C 0.6539(2) 0.3850(5) 0.6729(4) 0.120(3) Uani 1 1 d . . . . .
H123 H 0.6680 0.3907 0.6740 0.145 Uiso 1 1 calc R U . . .
C124 C 0.6675(2) 0.2183(4) 0.7682(4) 0.118(3) Uani 1 1 d . . . . .
H124 H 0.6628 0.1909 0.7867 0.142 Uiso 1 1 calc R U . . .
C125 C 0.65337(19) 0.2553(5) 0.7431(4) 0.119(3) Uani 1 1 d . . . . .
H125 H 0.6394 0.2526 0.7441 0.143 Uiso 1 1 calc R U . . .
C126 C 0.65983(19) 0.2961(4) 0.7166(3) 0.109(3) Uani 1 1 d . . . . .
C127 C 0.6809(2) 0.2946(5) 0.7158(4) 0.122(3) Uani 1 1 d . . . . .
H127 H 0.6861 0.3209 0.6971 0.146 Uiso 1 1 calc R U . . .
C128 C 0.6942(2) 0.2553(5) 0.7418(4) 0.121(3) Uani 1 1 d . . . . .
H128 H 0.7081 0.2551 0.7406 0.145 Uiso 1 1 calc R U . . .
C129 C 0.6032(2) 0.5658(5) 0.2782(4) 0.125(4) Uani 1 1 d D U . . .
C130 C 0.5814(3) 0.5549(7) 0.2588(4) 0.143(5) Uani 1 1 d . . . . .
C131 C 0.5703(3) 0.6015(8) 0.2687(5) 0.148(5) Uani 1 1 d . U . . .
C132 C 0.5834(3) 0.6367(9) 0.2941(6) 0.159(6) Uani 1 1 d . . . . .
C133 C 0.6036(2) 0.6179(5) 0.3018(4) 0.133(4) Uani 1 1 d D . . . .
C134 C 0.6196(3) 0.5268(7) 0.2736(5) 0.161(5) Uani 1 1 d . U . . .
H13A H 0.6145 0.5013 0.2473 0.242 Uiso 1 1 calc R U . . .
H13B H 0.6239 0.5051 0.3026 0.242 Uiso 1 1 calc R U . . .
H13C H 0.6312 0.5481 0.2678 0.242 Uiso 1 1 calc R U . . .
C135 C 0.5740(4) 0.5088(8) 0.2327(5) 0.210(10) Uani 1 1 d . . . . .
H13D H 0.5610 0.4976 0.2393 0.315 Uiso 1 1 calc R U . . .
H13E H 0.5838 0.4780 0.2407 0.315 Uiso 1 1 calc R U . . .
H13F H 0.5720 0.5177 0.1993 0.315 Uiso 1 1 calc R U . . .
C136 C 0.5479(3) 0.6063(12) 0.2550(8) 0.255(13) Uani 1 1 d . U . . .
H13G H 0.5422 0.5737 0.2360 0.383 Uiso 1 1 calc R U . . .
H13H H 0.5425 0.6077 0.2833 0.383 Uiso 1 1 calc R U . . .
H13I H 0.5441 0.6405 0.2366 0.383 Uiso 1 1 calc R U . . .
C137 C 0.5777(3) 0.6912(6) 0.3111(7) 0.203(8) Uani 1 1 d . . . . .
H13J H 0.5634 0.6904 0.3125 0.304 Uiso 1 1 calc R U . . .
H13K H 0.5799 0.7209 0.2896 0.304 Uiso 1 1 calc R U . . .
H13L H 0.5862 0.6986 0.3425 0.304 Uiso 1 1 calc R U . . .
C138 C 0.6220(3) 0.6473(7) 0.3277(6) 0.186(7) Uani 1 1 d D . . . .
H13M H 0.6210 0.6537 0.3602 0.279 Uiso 1 1 calc R U . . .
H13N H 0.6232 0.6834 0.3126 0.279 Uiso 1 1 calc R U . . .
H13O H 0.6341 0.6244 0.3276 0.279 Uiso 1 1 calc R U . . .
C139 C 0.51896(18) 0.6610(5) 0.5472(4) 0.119(3) Uani 1 1 d D . . . .
C140 C 0.5087(2) 0.6113(7) 0.5510(6) 0.153(5) Uani 1 1 d D . . . .
C141 C 0.5144(3) 0.5839(7) 0.5922(6) 0.183(7) Uani 1 1 d D U . . .
C142 C 0.5323(3) 0.6205(9) 0.6177(5) 0.166(5) Uani 1 1 d . U . . .
C143 C 0.5342(2) 0.6654(7) 0.5897(5) 0.144(4) Uani 1 1 d D U . . .
C144 C 0.5146(3) 0.6956(8) 0.5053(6) 0.194(8) Uani 1 1 d D . . . .
H14A H 0.5065 0.6741 0.4790 0.292 Uiso 1 1 calc R U . . .
H14B H 0.5274 0.7074 0.4978 0.292 Uiso 1 1 calc R U . . .
H14C H 0.5069 0.7287 0.5108 0.292 Uiso 1 1 calc R U . . .
C145 C 0.4905(3) 0.5891(10) 0.5113(7) 0.213(9) Uani 1 1 d . . . . .
H14D H 0.4776 0.5951 0.5206 0.319 Uiso 1 1 calc R U . . .
H14E H 0.4923 0.5490 0.5065 0.319 Uiso 1 1 calc R U . . .
H14F H 0.4903 0.6093 0.4820 0.319 Uiso 1 1 calc R U . . .
C146 C 0.5081(4) 0.5264(9) 0.6067(8) 0.237(10) Uani 1 1 d D U . . .
H14G H 0.4932 0.5242 0.5998 0.355 Uiso 1 1 calc R U . . .
H14H H 0.5136 0.5210 0.6404 0.355 Uiso 1 1 calc R U . . .
H14I H 0.5134 0.4973 0.5892 0.355 Uiso 1 1 calc R U . . .
C147 C 0.5444(3) 0.6090(11) 0.6669(6) 0.230(10) Uani 1 1 d . U . . .
H14J H 0.5398 0.5740 0.6783 0.346 Uiso 1 1 calc R U . . .
H14K H 0.5589 0.6058 0.6667 0.346 Uiso 1 1 calc R U . . .
H14L H 0.5426 0.6399 0.6876 0.346 Uiso 1 1 calc R U . . .
C148 C 0.5484(3) 0.7067(10) 0.6050(7) 0.207(7) Uani 1 1 d . U . . .
H14M H 0.5475 0.7349 0.5803 0.311 Uiso 1 1 calc R U . . .
H14N H 0.5457 0.7243 0.6332 0.311 Uiso 1 1 calc R U . . .
H14O H 0.5620 0.6902 0.6123 0.311 Uiso 1 1 calc R U . . .
C149 C 0.66770(16) -0.0655(4) 0.5219(3) 0.098(2) Uani 1 1 d . . . . .
C150 C 0.68592(15) -0.0793(3) 0.5564(3) 0.095(2) Uani 1 1 d D . . . .
C151 C 0.68012(17) -0.0991(3) 0.5972(3) 0.100(2) Uani 1 1 d D . . . .
C152 C 0.65909(17) -0.0992(4) 0.5892(4) 0.106(3) Uani 1 1 d D . . . .
C153 C 0.65104(16) -0.0764(4) 0.5439(4) 0.108(3) Uani 1 1 d D . . . .
C154 C 0.6674(2) -0.0435(5) 0.4749(4) 0.134(4) Uani 1 1 d . . . . .
H15A H 0.6808 -0.0282 0.4744 0.201 Uiso 1 1 calc R U . . .
H15B H 0.6571 -0.0138 0.4672 0.201 Uiso 1 1 calc R U . . .
H15C H 0.6640 -0.0738 0.4518 0.201 Uiso 1 1 calc R U . . .
C155 C 0.70699(18) -0.0720(5) 0.5488(5) 0.125(3) Uani 1 1 d . . . . .
H15D H 0.7132 -0.1088 0.5468 0.187 Uiso 1 1 calc R U . . .
H15E H 0.7153 -0.0509 0.5752 0.187 Uiso 1 1 calc R U . . .
H15F H 0.7063 -0.0513 0.5196 0.187 Uiso 1 1 calc R U . . .
C156 C 0.6954(2) -0.1197(5) 0.6435(4) 0.135(4) Uani 1 1 d . . . . .
H15G H 0.6907 -0.1067 0.6710 0.202 Uiso 1 1 calc R U . . .
H15H H 0.7090 -0.1043 0.6446 0.202 Uiso 1 1 calc R U . . .
H15I H 0.6961 -0.1607 0.6437 0.202 Uiso 1 1 calc R U . . .
C157 C 0.6462(2) -0.1162(5) 0.6216(5) 0.131(4) Uani 1 1 d . . . . .
H15J H 0.6447 -0.1570 0.6212 0.197 Uiso 1 1 calc R U . . .
H15K H 0.6327 -0.0989 0.6116 0.197 Uiso 1 1 calc R U . . .
H15L H 0.6526 -0.1038 0.6535 0.197 Uiso 1 1 calc R U . . .
C158 C 0.62902(17) -0.0684(5) 0.5190(5) 0.139(4) Uani 1 1 d . . . . .
H15M H 0.6244 -0.1005 0.4985 0.208 Uiso 1 1 calc R U . . .
H15N H 0.6277 -0.0341 0.5001 0.208 Uiso 1 1 calc R U . . .
H15O H 0.6207 -0.0653 0.5422 0.208 Uiso 1 1 calc R U . . .
C159 C 0.73335(16) 0.1641(4) 0.8666(2) 0.126(5) Uani 0.51(3) 1 d G U P B 1
C160 C 0.73236(11) 0.2208(3) 0.8540(2) 0.126(4) Uani 0.51(3) 1 d G U P B 1
C161 C 0.71453(13) 0.2433(6) 0.8634(4) 0.135(6) Uani 0.51(3) 1 d G U P B 1
C162 C 0.70450(13) 0.2005(9) 0.8819(3) 0.117(7) Uani 0.51(3) 1 d G U P B 1
C163 C 0.7161(2) 0.1515(7) 0.8839(2) 0.129(9) Uani 0.51(3) 1 d G U P B 1
C164 C 0.7498(2) 0.1242(4) 0.8625(4) 0.213(13) Uani 0.51(3) 1 d G U P B 1
H16A H 0.7468 0.0872 0.8738 0.320 Uiso 0.51(3) 1 calc R U P B 1
H16B H 0.7506 0.1214 0.8295 0.320 Uiso 0.51(3) 1 calc R U P B 1
H16C H 0.7629 0.1376 0.8814 0.320 Uiso 0.51(3) 1 calc R U P B 1
C165 C 0.7476(2) 0.2517(5) 0.8340(4) 0.174(11) Uani 0.51(3) 1 d G U P B 1
H16D H 0.7474 0.2915 0.8422 0.261 Uiso 0.51(3) 1 calc R U P B 1
H16E H 0.7442 0.2476 0.7997 0.261 Uiso 0.51(3) 1 calc R U P B 1
H16F H 0.7612 0.2364 0.8468 0.261 Uiso 0.51(3) 1 calc R U P B 1
C166 C 0.7075(3) 0.3023(8) 0.8552(6) 0.26(2) Uani 0.51(3) 1 d G U P B 1
H16G H 0.6946 0.3070 0.8648 0.395 Uiso 0.51(3) 1 calc R U P B 1
H16H H 0.7177 0.3275 0.8736 0.395 Uiso 0.51(3) 1 calc R U P B 1
H16I H 0.7055 0.3113 0.8218 0.395 Uiso 0.51(3) 1 calc R U P B 1
C167 C 0.68491(18) 0.2061(14) 0.8968(5) 0.156(12) Uani 0.51(3) 1 d G U P B 1
H16J H 0.6800 0.2447 0.8917 0.234 Uiso 0.51(3) 1 calc R U P B 1
H16K H 0.6748 0.1805 0.8784 0.234 Uiso 0.51(3) 1 calc R U P B 1
H16L H 0.6871 0.1967 0.9302 0.234 Uiso 0.51(3) 1 calc R U P B 1
C168 C 0.7111(4) 0.0960(9) 0.9013(3) 0.219(18) Uani 0.51(3) 1 d G U P B 1
H16M H 0.7037 0.0734 0.8749 0.328 Uiso 0.51(3) 1 calc R U P B 1
H16N H 0.7025 0.1012 0.9239 0.328 Uiso 0.51(3) 1 calc R U P B 1
H16O H 0.7237 0.0767 0.9167 0.328 Uiso 0.51(3) 1 calc R U P B 1
C259 C 0.73773(17) 0.1593(3) 0.8645(3) 0.120(5) Uani 0.49(3) 1 d G U P B 2
C260 C 0.73182(11) 0.2157(3) 0.8564(2) 0.124(5) Uani 0.49(3) 1 d G U P B 2
C261 C 0.71360(11) 0.2236(7) 0.8714(3) 0.130(5) Uani 0.49(3) 1 d G U P B 2
C262 C 0.70825(18) 0.1721(9) 0.8887(2) 0.125(9) Uani 0.49(3) 1 d G U P B 2
C263 C 0.7232(2) 0.1323(6) 0.8844(2) 0.114(7) Uani 0.49(3) 1 d G U P B 2
C264 C 0.7562(2) 0.1327(6) 0.8537(5) 0.148(9) Uani 0.49(3) 1 d G U P B 2
H26A H 0.7645 0.1156 0.8823 0.223 Uiso 0.49(3) 1 calc R U P B 2
H26B H 0.7643 0.1613 0.8422 0.223 Uiso 0.49(3) 1 calc R U P B 2
H26C H 0.7521 0.1038 0.8297 0.223 Uiso 0.49(3) 1 calc R U P B 2
C265 C 0.7430(2) 0.2596(5) 0.8356(4) 0.172(11) Uani 0.49(3) 1 d G U P B 2
H26D H 0.7339 0.2753 0.8075 0.257 Uiso 0.49(3) 1 calc R U P B 2
H26E H 0.7549 0.2428 0.8271 0.257 Uiso 0.49(3) 1 calc R U P B 2
H26F H 0.7474 0.2895 0.8587 0.257 Uiso 0.49(3) 1 calc R U P B 2
C266 C 0.7020(2) 0.2773(9) 0.8693(6) 0.187(14) Uani 0.49(3) 1 d G U P B 2
H26G H 0.6898 0.2755 0.8436 0.281 Uiso 0.49(3) 1 calc R U P B 2
H26H H 0.7106 0.3085 0.8639 0.281 Uiso 0.49(3) 1 calc R U P B 2
H26I H 0.6979 0.2830 0.8991 0.281 Uiso 0.49(3) 1 calc R U P B 2
C267 C 0.6899(3) 0.1614(14) 0.9082(4) 0.172(14) Uani 0.49(3) 1 d G U P B 2
H26J H 0.6898 0.1221 0.9177 0.258 Uiso 0.49(3) 1 calc R U P B 2
H26K H 0.6904 0.1856 0.9355 0.258 Uiso 0.49(3) 1 calc R U P B 2
H26L H 0.6775 0.1695 0.8841 0.258 Uiso 0.49(3) 1 calc R U P B 2
C268 C 0.7235(4) 0.0720(7) 0.8986(4) 0.185(15) Uani 0.49(3) 1 d G U P B 2
H26M H 0.7355 0.0537 0.8918 0.277 Uiso 0.49(3) 1 calc R U P B 2
H26N H 0.7240 0.0695 0.9322 0.277 Uiso 0.49(3) 1 calc R U P B 2
H26O H 0.7111 0.0534 0.8809 0.277 Uiso 0.49(3) 1 calc R U P B 2
C169 C 0.7632(3) 0.4091(9) 0.5644(7) 0.197(7) Uani 1 1 d D U . . .
C170 C 0.6076(4) 0.3494(8) 0.2531(6) 0.176(7) Uani 1 1 d . U . . .
S11 S 0.69484(16) 0.7181(4) 0.5765(4) 0.187(4) Uani 0.658(12) 1 d D U P C 1
O27 O 0.7087(4) 0.6995(11) 0.5462(10) 0.260(12) Uani 0.658(12) 1 d D U P C 1
O28 O 0.7041(3) 0.7568(8) 0.6131(7) 0.210(9) Uani 0.658(12) 1 d D U P C 1
O29 O 0.6850(4) 0.6737(7) 0.5914(7) 0.220(10) Uani 0.658(12) 1 d D U P C 1
C171 C 0.6767(4) 0.7541(8) 0.5319(8) 0.133(6) Uani 0.658(12) 1 d D U P C 1
F7 F 0.6695(4) 0.7233(9) 0.4953(7) 0.231(9) Uani 0.658(12) 1 d D U P C 1
F8 F 0.6613(5) 0.7709(14) 0.5462(13) 0.332(15) Uani 0.658(12) 1 d D U P C 1
F9 F 0.6841(4) 0.7970(6) 0.5128(7) 0.277(11) Uani 0.658(12) 1 d D U P C 1
S11' S 0.7004(3) 0.7412(10) 0.5489(10) 0.227(10) Uani 0.342(12) 1 d D U P C 2
O27' O 0.7010(10) 0.741(2) 0.4998(11) 0.28(2) Uani 0.342(12) 1 d D U P C 2
O28' O 0.7106(7) 0.6911(17) 0.572(2) 0.35(3) Uani 0.342(12) 1 d D U P C 2
O29' O 0.7098(7) 0.7902(16) 0.5714(17) 0.26(2) Uani 0.342(12) 1 d D U P C 2
C271 C 0.6749(5) 0.7309(11) 0.5544(11) 0.134(12) Uani 0.342(12) 1 d D U P C 2
F7' F 0.6624(5) 0.7128(18) 0.5152(13) 0.243(16) Uani 0.342(12) 1 d D U P C 2
F8' F 0.6665(4) 0.7780(9) 0.5638(13) 0.192(12) Uani 0.342(12) 1 d D U P C 2
F9' F 0.6729(6) 0.6953(15) 0.5868(15) 0.29(3) Uani 0.342(12) 1 d D U P C 2
C172 C 0.4739(3) 0.7790(10) 0.2838(8) 0.187(7) Uani 1 1 d . . . . .
F10 F 0.4866(4) 0.7544(10) 0.3241(8) 0.411(14) Uani 1 1 d . U . . .
F11 F 0.4711(3) 0.7415(8) 0.2492(7) 0.308(9) Uani 1 1 d . U . . .
F12 F 0.4869(3) 0.8193(12) 0.2744(9) 0.392(13) Uani 1 1 d . U . . .
O30 O 0.4389(3) 0.7640(9) 0.3058(9) 0.369(14) Uani 1 1 d D U . . .
O31 O 0.4574(3) 0.8576(9) 0.3179(9) 0.373(14) Uani 1 1 d D U . . .
O32 O 0.4390(4) 0.8279(13) 0.2466(7) 0.411(16) Uani 1 1 d D U . . .
S12 S 0.45087(12) 0.8102(5) 0.2953(3) 0.281(5) 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 77.50(19) . . ?
O1 Rh1 C48 109.0(3) . . ?
O2 Rh1 C48 102.9(4) . . ?
O1 Rh1 C46 118.5(3) . . ?
O2 Rh1 C46 162.6(3) . . ?
C48 Rh1 C46 66.6(4) . . ?
O1 Rh1 N1 82.7(2) . . ?
O2 Rh1 N1 89.03(19) . . ?
C48 Rh1 N1 164.7(3) . . ?
C46 Rh1 N1 99.4(3) . . ?
O1 Rh1 C47 97.1(3) . . ?
O2 Rh1 C47 137.8(4) . . ?
C48 Rh1 C47 38.8(5) . . ?
C46 Rh1 C47 39.4(4) . . ?
N1 Rh1 C47 132.2(4) . . ?
O1 Rh1 C45 157.0(3) . . ?
O2 Rh1 C45 125.2(4) . . ?
C48 Rh1 C45 65.5(4) . . ?
C46 Rh1 C45 38.5(4) . . ?
N1 Rh1 C45 99.8(3) . . ?
C47 Rh1 C45 64.2(4) . . ?
O1 Rh1 C49 147.6(4) . . ?
O2 Rh1 C49 97.7(4) . . ?
C48 Rh1 C49 40.1(4) . . ?
C46 Rh1 C49 65.2(4) . . ?
N1 Rh1 C49 129.6(4) . . ?
C47 Rh1 C49 64.8(4) . . ?
C45 Rh1 C49 37.9(4) . . ?
C56 Rh2 N5 116.0(4) . . ?
C56 Rh2 O4 157.3(4) . . ?
N5 Rh2 O4 86.7(2) . . ?
C56 Rh2 C57 40.6(4) . . ?
N5 Rh2 C57 156.6(3) . . ?
O4 Rh2 C57 116.7(3) . . ?
C56 Rh2 O3 102.6(3) . . ?
N5 Rh2 O3 84.3(2) . . ?
O4 Rh2 O3 77.2(2) . . ?
C57 Rh2 O3 99.6(3) . . ?
C56 Rh2 C55 39.6(4) . . ?
N5 Rh2 C55 95.2(3) . . ?
O4 Rh2 C55 146.2(3) . . ?
C57 Rh2 C55 66.0(4) . . ?
O3 Rh2 C55 136.6(3) . . ?
C56 Rh2 C58 66.3(4) . . ?
N5 Rh2 C58 148.3(3) . . ?
O4 Rh2 C58 95.3(3) . . ?
C57 Rh2 C58 37.5(4) . . ?
O3 Rh2 C58 127.1(3) . . ?
C55 Rh2 C58 66.2(4) . . ?
C56 Rh2 C59 67.3(4) . . ?
N5 Rh2 C59 110.4(3) . . ?
O4 Rh2 C59 107.5(3) . . ?
C57 Rh2 C59 65.0(4) . . ?
O3 Rh2 C59 164.5(3) . . ?
C55 Rh2 C59 40.5(4) . . ?
C58 Rh2 C59 38.9(3) . . ?
C69 Rh3 O8 152.9(4) . . ?
C69 Rh3 C65 39.4(4) . . ?
O8 Rh3 C65 147.4(4) . . ?
C69 Rh3 O7 102.1(4) . . ?
O8 Rh3 O7 76.9(2) . . ?
C65 Rh3 O7 135.6(4) . . ?
C69 Rh3 C68 39.1(4) . . ?
O8 Rh3 C68 113.9(4) . . ?
C65 Rh3 C68 64.9(4) . . ?
O7 Rh3 C68 100.1(4) . . ?
C69 Rh3 C66 63.6(5) . . ?
O8 Rh3 C66 110.9(4) . . ?
C65 Rh3 C66 37.5(4) . . ?
O7 Rh3 C66 162.7(3) . . ?
C68 Rh3 C66 62.7(4) . . ?
C69 Rh3 N4 122.1(5) . . ?
O8 Rh3 N4 85.0(3) . . ?
C65 Rh3 N4 96.0(3) . . ?
O7 Rh3 N4 89.9(2) . . ?
C68 Rh3 N4 160.1(4) . . ?
C66 Rh3 N4 105.8(3) . . ?
C69 Rh3 C67 64.4(5) . . ?
O8 Rh3 C67 95.1(4) . . ?
C65 Rh3 C67 63.2(4) . . ?
O7 Rh3 C67 130.2(4) . . ?
C68 Rh3 C67 38.3(4) . . ?
C66 Rh3 C67 36.3(3) . . ?
N4 Rh3 C67 139.0(4) . . ?
N8 Rh4 O10 83.8(3) . . ?
N8 Rh4 O9 86.5(2) . . ?
O10 Rh4 O9 76.7(2) . . ?
N8 Rh4 C77 164.1(3) . . ?
O10 Rh4 C77 107.6(4) . . ?
O9 Rh4 C77 106.6(4) . . ?
N8 Rh4 C76 129.5(5) . . ?
O10 Rh4 C76 96.2(4) . . ?
O9 Rh4 C76 142.8(4) . . ?
C77 Rh4 C76 40.2(5) . . ?
N8 Rh4 C79 99.3(3) . . ?
O10 Rh4 C79 158.2(3) . . ?
O9 Rh4 C79 124.9(3) . . ?
C77 Rh4 C79 66.0(4) . . ?
C76 Rh4 C79 65.1(4) . . ?
N8 Rh4 C78 129.3(4) . . ?
O10 Rh4 C78 146.5(3) . . ?
O9 Rh4 C78 98.0(4) . . ?
C77 Rh4 C78 41.5(5) . . ?
C76 Rh4 C78 67.9(5) . . ?
C79 Rh4 C78 38.6(4) . . ?
N8 Rh4 C75 99.3(3) . . ?
O10 Rh4 C75 118.6(3) . . ?
O9 Rh4 C75 164.0(4) . . ?
C77 Rh4 C75 65.8(4) . . ?
C76 Rh4 C75 37.7(4) . . ?
C79 Rh4 C75 39.7(3) . . ?
C78 Rh4 C75 66.7(4) . . ?
O11 Rh5 C130 113.2(5) . . ?
O11 Rh5 O12 76.7(3) . . ?
C130 Rh5 O12 163.8(5) . . ?
O11 Rh5 C132 111.6(5) . . ?
C130 Rh5 C132 62.7(7) . . ?
O12 Rh5 C132 102.2(6) . . ?
O11 Rh5 C133 149.0(4) . . ?
C130 Rh5 C133 65.4(5) . . ?
O12 Rh5 C133 99.3(4) . . ?
C132 Rh5 C133 38.3(5) . . ?
O11 Rh5 N9 83.1(3) . . ?
C130 Rh5 N9 105.6(5) . . ?
O12 Rh5 N9 87.8(2) . . ?
C132 Rh5 N9 163.6(5) . . ?
C133 Rh5 N9 127.8(5) . . ?
O11 Rh5 C129 153.5(4) . . ?
C130 Rh5 C129 40.5(5) . . ?
O12 Rh5 C129 129.5(4) . . ?
C132 Rh5 C129 64.0(5) . . ?
C133 Rh5 C129 38.8(4) . . ?
N9 Rh5 C129 99.7(4) . . ?
O11 Rh5 C131 95.5(5) . . ?
C130 Rh5 C131 38.5(6) . . ?
O12 Rh5 C131 131.2(5) . . ?
C132 Rh5 C131 35.8(6) . . ?
C133 Rh5 C131 63.6(6) . . ?
N9 Rh5 C131 139.8(6) . . ?
C129 Rh5 C131 65.4(6) . . ?
C143 Rh6 C142 38.4(7) . . ?
C143 Rh6 C140 64.8(6) . . ?
C142 Rh6 C140 64.2(6) . . ?
C143 Rh6 O14 145.5(5) . . ?
C142 Rh6 O14 156.6(6) . . ?
C140 Rh6 O14 95.9(5) . . ?
C143 Rh6 C139 39.6(4) . . ?
C142 Rh6 C139 65.1(5) . . ?
C140 Rh6 C139 38.5(5) . . ?
O14 Rh6 C139 107.7(4) . . ?
C143 Rh6 N13 127.0(5) . . ?
C142 Rh6 N13 98.1(5) . . ?
C140 Rh6 N13 134.3(6) . . ?
O14 Rh6 N13 87.2(3) . . ?
C139 Rh6 N13 163.1(4) . . ?
C143 Rh6 O13 100.1(5) . . ?
C142 Rh6 O13 126.0(7) . . ?
C140 Rh6 O13 141.8(5) . . ?
O14 Rh6 O13 77.2(3) . . ?
C139 Rh6 O13 107.3(4) . . ?
N13 Rh6 O13 83.5(4) . . ?
C143 Rh6 C141 67.1(6) . . ?
C142 Rh6 C141 41.7(7) . . ?
C140 Rh6 C141 36.5(5) . . ?
O14 Rh6 C141 114.8(6) . . ?
C139 Rh6 C141 65.0(5) . . ?
N13 Rh6 C141 101.8(6) . . ?
O13 Rh6 C141 166.9(5) . . ?
C151 Rh7 O16 101.6(3) . . ?
C151 Rh7 O15 108.0(3) . . ?
O16 Rh7 O15 76.49(18) . . ?
C151 Rh7 C153 65.1(4) . . ?
O16 Rh7 C153 163.5(3) . . ?
O15 Rh7 C153 115.9(3) . . ?
C151 Rh7 C150 39.3(3) . . ?
O16 Rh7 C150 98.2(3) . . ?
O15 Rh7 C150 146.0(3) . . ?
C153 Rh7 C150 65.4(4) . . ?
C151 Rh7 N12 160.8(3) . . ?
O16 Rh7 N12 85.4(2) . . ?
O15 Rh7 N12 91.0(2) . . ?
C153 Rh7 N12 104.3(3) . . ?
C150 Rh7 N12 122.5(3) . . ?
C151 Rh7 C152 38.0(4) . . ?
O16 Rh7 C152 134.2(3) . . ?
O15 Rh7 C152 94.7(3) . . ?
C153 Rh7 C152 38.9(3) . . ?
C150 Rh7 C152 64.7(4) . . ?
N12 Rh7 C152 140.2(3) . . ?
C151 Rh7 C149 65.6(4) . . ?
O16 Rh7 C149 127.8(3) . . ?
O15 Rh7 C149 155.1(3) . . ?
C153 Rh7 C149 39.3(4) . . ?
C150 Rh7 C149 39.1(4) . . ?
N12 Rh7 C149 95.9(3) . . ?
C152 Rh7 C149 65.2(4) . . ?
C163 Rh8 C159 41.18(17) . . ?
C163 Rh8 O17 133.7(6) . . ?
C159 Rh8 O17 102.4(4) . . ?
C261 Rh8 O17 145.2(4) . . ?
C163 Rh8 N16 139.7(6) . . ?
C159 Rh8 N16 147.9(3) . . ?
C261 Rh8 N16 97.4(4) . . ?
O17 Rh8 N16 86.6(3) . . ?
C261 Rh8 C260 39.49(15) . . ?
O17 Rh8 C260 107.2(3) . . ?
N16 Rh8 C260 112.0(3) . . ?
C163 Rh8 O18 103.7(3) . . ?
C159 Rh8 O18 129.2(3) . . ?
C261 Rh8 O18 137.8(4) . . ?
O17 Rh8 O18 77.0(2) . . ?
N16 Rh8 O18 82.8(3) . . ?
C260 Rh8 O18 164.6(3) . . ?
C261 Rh8 C262 39.01(14) . . ?
O17 Rh8 C262 154.5(6) . . ?
N16 Rh8 C262 118.9(6) . . ?
C260 Rh8 C262 65.0(2) . . ?
O18 Rh8 C262 104.7(3) . . ?
C163 Rh8 C162 39.24(14) . . ?
C159 Rh8 C162 66.1(2) . . ?
O17 Rh8 C162 167.8(3) . . ?
N16 Rh8 C162 101.2(6) . . ?
O18 Rh8 C162 113.0(4) . . ?
C163 Rh8 C160 66.0(2) . . ?
C159 Rh8 C160 39.13(13) . . ?
O17 Rh8 C160 105.5(3) . . ?
N16 Rh8 C160 108.8(3) . . ?
O18 Rh8 C160 168.2(3) . . ?
C162 Rh8 C160 63.3(2) . . ?
C261 Rh8 C259 64.7(2) . . ?
O17 Rh8 C259 94.8(3) . . ?
N16 Rh8 C259 149.1(3) . . ?
C260 Rh8 C259 38.32(13) . . ?
O18 Rh8 C259 127.7(3) . . ?
C262 Rh8 C259 63.5(2) . . ?
C261 Rh8 C263 64.2(2) . . ?
O17 Rh8 C263 116.8(5) . . ?
N16 Rh8 C263 156.6(6) . . ?
C260 Rh8 C263 63.8(2) . . ?
O18 Rh8 C263 101.0(2) . . ?
C262 Rh8 C263 37.71(15) . . ?
C259 Rh8 C263 37.38(16) . . ?
C17 N1 C13 117.6(6) . . ?
C17 N1 Rh1 120.9(5) . . ?
C13 N1 Rh1 121.6(5) . . ?
C28 N4 C24 117.6(7) . . ?
C28 N4 Rh3 120.1(6) . . ?
C24 N4 Rh3 122.2(6) . . ?
C29 N5 C33 119.3(7) . . ?
C29 N5 Rh2 119.1(5) . . ?
C33 N5 Rh2 121.2(6) . . ?
C40 N8 C44 116.8(7) . . ?
C40 N8 Rh4 119.6(5) . . ?
C44 N8 Rh4 123.4(5) . . ?
C97 N9 C101 117.1(8) . . ?
C97 N9 Rh5 122.8(6) . . ?
C101 N9 Rh5 120.0(6) . . ?
C112 N12 C108 117.9(7) . . ?
C112 N12 Rh7 118.2(6) . . ?
C108 N12 Rh7 123.8(5) . . ?
C113 N13 C117 118.7(11) . . ?
C113 N13 Rh6 120.8(9) . . ?
C117 N13 Rh6 120.6(9) . . ?
C128 N16 C124 118.6(9) . . ?
C128 N16 Rh8 119.7(8) . . ?
C124 N16 Rh8 121.3(7) . . ?
C1 O1 Rh1 114.9(5) . . ?
C2 O2 Rh1 114.2(5) . . ?
C4 O3 Rh2 115.6(5) . . ?
C5 O4 Rh2 113.2(5) . . ?
C7 O7 Rh3 114.8(5) . . ?
C8 O8 Rh3 118.6(6) . . ?
C10 O9 Rh4 115.2(5) . . ?
C11 O10 Rh4 115.0(5) . . ?
C85 O11 Rh5 117.2(7) . . ?
C86 O12 Rh5 114.6(6) . . ?
C88 O13 Rh6 114.8(7) . . ?
C89 O14 Rh6 113.6(8) . . ?
C92 O15 Rh7 115.3(4) . . ?
C91 O16 Rh7 115.3(4) . . ?
C95 O17 Rh8 114.9(5) . . ?
C94 O18 Rh8 115.9(5) . . ?
C34 S3 C37 92.3(4) . . ?
C39 S4 C36 90.7(4) . . ?
C118 S7 C121 92.9(5) . . ?
C120 S8 C123 90.2(6) . . ?
O21 S9 O22 111.7(11) . . ?
O21 S9 O23 113.1(13) . . ?
O22 S9 O23 123.0(16) . . ?
O21 S9 C169 113.2(8) . . ?
O22 S9 C169 94.5(12) . . ?
O23 S9 C169 98.4(13) . . ?
O24 S10 O25 112(2) . . ?
O24 S10 O26 98.4(17) . . ?
O25 S10 O26 115.8(11) . . ?
O24 S10 C170 126(2) . . ?
O25 S10 C170 104.1(9) . . ?
O26 S10 C170 100.5(13) . . ?
C21 S1 C18 93(2) . . ?
C23 S2 C20 82.6(8) . . ?
C19 C18 S1 110(3) . . ?
C19 C18 H18 124.8 . . ?
S1 C18 H18 124.8 . . ?
C22 C23 S2 122.7(14) . . ?
C22 C23 H23 118.6 . . ?
S2 C23 H23 118.6 . . ?
C18' N2 C19 112(2) . . ?
C18' N2 H2 124.1 . . ?
C19 N2 H2 124.1 . . ?
C22 N3 C23' 107.7(14) . . ?
C22 N3 H3 126.2 . . ?
C23' N3 H3 126.2 . . ?
O5 C18' N2 111(2) . . ?
O5 C18' C21 144(2) . . ?
N2 C18' C21 105(2) . . ?
O6 C23' N3 121.0(17) . . ?
O6 C23' C20 125.7(16) . . ?
N3 C23' C20 113.3(13) . . ?
C105 S5 C102 93.5(10) . . ?
C107 S6 C104 91.4(10) . . ?
C103 C102 S5 108.6(17) . . ?
C103 C102 H102 125.7 . . ?
S5 C102 H102 125.7 . . ?
C106 C107 S6 109.8(16) . . ?
C106 C107 H107 125.1 . . ?
S6 C107 H107 125.1 . . ?
C202 N10 C103 110.3(16) . . ?
C202 N10 H10 124.8 . . ?
C103 N10 H10 124.8 . . ?
C106 N11 C207 114.7(19) . . ?
C106 N11 H11 122.7 . . ?
C207 N11 H11 122.7 . . ?
O19 C202 N10 116.6(19) . . ?
O19 C202 C105 135(2) . . ?
N10 C202 C105 107.3(17) . . ?
O20 C207 N11 120(2) . . ?
O20 C207 C104 132(2) . . ?
N11 C207 C104 107.4(15) . . ?
O1 C1 C6 123.0(7) . . ?
O1 C1 C2 115.9(6) . . ?
C6 C1 C2 121.1(6) . . ?
O2 C2 C3 123.4(7) . . ?
O2 C2 C1 116.9(6) . . ?
C3 C2 C1 119.7(6) . . ?
C4 C3 C2 119.8(7) . . ?
C4 C3 H3A 120.1 . . ?
C2 C3 H3A 120.1 . . ?
O3 C4 C3 124.6(7) . . ?
O3 C4 C5 115.3(6) . . ?
C3 C4 C5 120.1(7) . . ?
O4 C5 C6 120.9(7) . . ?
O4 C5 C4 118.5(6) . . ?
C6 C5 C4 120.6(6) . . ?
C1 C6 C5 118.0(7) . . ?
C1 C6 H6 121.0 . . ?
C5 C6 H6 121.0 . . ?
O7 C7 C12 124.2(8) . . ?
O7 C7 C8 116.7(7) . . ?
C12 C7 C8 119.1(8) . . ?
O8 C8 C9 126.6(9) . . ?
O8 C8 C7 112.8(8) . . ?
C9 C8 C7 120.6(7) . . ?
C8 C9 C10 119.9(9) . . ?
C8 C9 H9 120.1 . . ?
C10 C9 H9 120.1 . . ?
O9 C10 C9 124.6(9) . . ?
O9 C10 C11 116.1(7) . . ?
C9 C10 C11 119.3(8) . . ?
O10 C11 C12 122.6(8) . . ?
O10 C11 C10 115.9(7) . . ?
C12 C11 C10 121.5(7) . . ?
C11 C12 C7 118.9(8) . . ?
C11 C12 H12 120.5 . . ?
C7 C12 H12 120.5 . . ?
N1 C13 C14 123.1(7) . . ?
N1 C13 H13 118.5 . . ?
C14 C13 H13 118.5 . . ?
C13 C14 C15 120.0(6) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C15 C16 115.4(6) . . ?
C14 C15 C19 122.2(6) . . ?
C16 C15 C19 122.4(6) . . ?
C17 C16 C15 120.5(7) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
N1 C17 C16 123.4(7) . . ?
N1 C17 H17 118.3 . . ?
C16 C17 H17 118.3 . . ?
C18 C19 C20 112.0(18) . . ?
C18 C19 C15 119.0(18) . . ?
C20 C19 C15 129.0(6) . . ?
C20 C19 N2 102.9(12) . . ?
C15 C19 N2 128.1(12) . . ?
C21 C20 C23' 100.7(8) . . ?
C21 C20 C19 111.3(6) . . ?
C23' C20 C19 148.0(9) . . ?
C21 C20 S2 116.4(6) . . ?
C19 C20 S2 132.2(6) . . ?
C20 C21 C22 111.7(7) . . ?
C20 C21 C18' 109.1(12) . . ?
C22 C21 C18' 139.1(12) . . ?
C20 C21 S1 113.7(7) . . ?
C22 C21 S1 134.6(7) . . ?
N3 C22 C21 106.5(9) . . ?
C23 C22 C21 105.5(10) . . ?
N3 C22 C26 123.0(10) . . ?
C23 C22 C26 123.8(11) . . ?
C21 C22 C26 130.5(9) . . ?
N4 C24 C25 123.7(10) . . ?
N4 C24 H24 118.2 . . ?
C25 C24 H24 118.2 . . ?
C24 C25 C26 118.7(9) . . ?
C24 C25 H25 120.7 . . ?
C26 C25 H25 120.7 . . ?
C27 C26 C25 116.5(7) . . ?
C27 C26 C22 123.1(9) . . ?
C25 C26 C22 120.4(8) . . ?
C28 C27 C26 120.0(10) . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
N4 C28 C27 123.5(10) . . ?
N4 C28 H28 118.2 . . ?
C27 C28 H28 118.2 . . ?
N5 C29 C30 121.2(8) . . ?
N5 C29 H29 119.4 . . ?
C30 C29 H29 119.4 . . ?
C31 C30 C29 119.6(8) . . ?
C31 C30 H30 120.2 . . ?
C29 C30 H30 120.2 . . ?
C30 C31 C32 116.5(7) . . ?
C30 C31 C35 121.2(7) . . ?
C32 C31 C35 122.3(7) . . ?
C33 C32 C31 121.5(9) . . ?
C33 C32 H32 119.3 . . ?
C31 C32 H32 119.3 . . ?
C32 C33 N5 121.9(9) . . ?
C32 C33 H33 119.0 . . ?
N5 C33 H33 119.0 . . ?
C35 C34 S3 114.4(6) . . ?
C35 C34 H34 122.8 . . ?
S3 C34 H34 122.8 . . ?
C34 C35 C36 109.3(6) . . ?
C34 C35 C31 124.1(7) . . ?
C36 C35 C31 126.6(7) . . ?
C37 C36 C35 113.8(7) . . ?
C37 C36 S4 111.2(6) . . ?
C35 C36 S4 134.9(5) . . ?
C36 C37 C38 113.1(6) . . ?
C36 C37 S3 110.1(6) . . ?
C38 C37 S3 136.7(5) . . ?
C39 C38 C37 109.9(6) . . ?
C39 C38 C42 125.1(7) . . ?
C37 C38 C42 125.0(7) . . ?
C38 C39 S4 115.2(6) . . ?
C38 C39 H39 122.4 . . ?
S4 C39 H39 122.4 . . ?
N8 C40 C41 124.5(8) . . ?
N8 C40 H40 117.8 . . ?
C41 C40 H40 117.8 . . ?
C40 C41 C42 120.1(8) . . ?
C40 C41 H41 120.0 . . ?
C42 C41 H41 120.0 . . ?
C41 C42 C43 115.4(7) . . ?
C41 C42 C38 122.8(7) . . ?
C43 C42 C38 121.8(7) . . ?
C44 C43 C42 120.6(7) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
N8 C44 C43 122.7(7) . . ?
N8 C44 H44 118.6 . . ?
C43 C44 H44 118.6 . . ?
C49 C45 C46 110.7(9) . . ?
C49 C45 C50 125.8(12) . . ?
C46 C45 C50 123.5(12) . . ?
C49 C45 Rh1 71.2(5) . . ?
C46 C45 Rh1 70.6(5) . . ?
C50 C45 Rh1 125.6(6) . . ?
C45 C46 C47 105.8(10) . . ?
C45 C46 C51 128.2(12) . . ?
C47 C46 C51 125.9(12) . . ?
C45 C46 Rh1 71.0(5) . . ?
C47 C46 Rh1 70.4(5) . . ?
C51 C46 Rh1 125.7(7) . . ?
C48 C47 C46 109.9(9) . . ?
C48 C47 C52 125.1(13) . . ?
C46 C47 C52 124.9(13) . . ?
C48 C47 Rh1 70.1(5) . . ?
C46 C47 Rh1 70.2(5) . . ?
C52 C47 Rh1 123.7(6) . . ?
C47 C48 C49 105.6(10) . . ?
C47 C48 C53 129.8(13) . . ?
C49 C48 C53 124.4(15) . . ?
C47 C48 Rh1 71.1(5) . . ?
C49 C48 Rh1 70.6(5) . . ?
C53 C48 Rh1 125.6(8) . . ?
C45 C49 C48 107.9(11) . . ?
C45 C49 C54 128.9(11) . . ?
C48 C49 C54 123.2(13) . . ?
C45 C49 Rh1 70.9(6) . . ?
C48 C49 Rh1 69.3(5) . . ?
C54 C49 Rh1 123.5(7) . . ?
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 . . ?
C60 C55 C56 125.2(10) . . ?
C60 C55 C59 127.2(10) . . ?
C56 C55 C59 107.7(8) . . ?
C60 C55 Rh2 125.4(8) . . ?
C56 C55 Rh2 68.8(5) . . ?
C59 C55 Rh2 70.6(4) . . ?
C55 C56 C61 127.5(11) . . ?
C55 C56 C57 106.4(9) . . ?
C61 C56 C57 126.0(11) . . ?
C55 C56 Rh2 71.6(5) . . ?
C61 C56 Rh2 125.9(9) . . ?
C57 C56 Rh2 70.4(5) . . ?
C58 C57 C56 109.9(9) . . ?
C58 C57 C62 123.1(11) . . ?
C56 C57 C62 126.9(12) . . ?
C58 C57 Rh2 72.2(5) . . ?
C56 C57 Rh2 69.0(5) . . ?
C62 C57 Rh2 122.7(8) . . ?
C57 C58 C59 110.0(9) . . ?
C57 C58 C63 125.6(10) . . ?
C59 C58 C63 124.4(11) . . ?
C57 C58 Rh2 70.2(6) . . ?
C59 C58 Rh2 71.2(5) . . ?
C63 C58 Rh2 126.4(7) . . ?
C64 C59 C58 127.0(10) . . ?
C64 C59 C55 126.8(9) . . ?
C58 C59 C55 106.0(9) . . ?
C64 C59 Rh2 128.6(7) . . ?
C58 C59 Rh2 69.9(5) . . ?
C55 C59 Rh2 68.8(5) . . ?
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 . . ?
C66 C65 C69 106.4(10) . . ?
C66 C65 C70 122.4(13) . . ?
C69 C65 C70 131.2(14) . . ?
C66 C65 Rh3 71.5(6) . . ?
C69 C65 Rh3 69.9(6) . . ?
C70 C65 Rh3 124.3(7) . . ?
C67 C66 C65 112.2(12) . . ?
C67 C66 C71 124.2(14) . . ?
C65 C66 C71 123.6(12) . . ?
C67 C66 Rh3 73.0(6) . . ?
C65 C66 Rh3 71.0(5) . . ?
C71 C66 Rh3 124.7(8) . . ?
C66 C67 C68 107.6(12) . . ?
C66 C67 C72 130.0(16) . . ?
C68 C67 C72 122.4(13) . . ?
C66 C67 Rh3 70.6(5) . . ?
C68 C67 Rh3 69.6(6) . . ?
C72 C67 Rh3 122.8(9) . . ?
C67 C68 C69 107.3(11) . . ?
C67 C68 C73 122.6(15) . . ?
C69 C68 C73 130.1(17) . . ?
C67 C68 Rh3 72.0(6) . . ?
C69 C68 Rh3 69.8(6) . . ?
C73 C68 Rh3 122.8(9) . . ?
C68 C69 C65 106.5(12) . . ?
C68 C69 C74 119(2) . . ?
C65 C69 C74 134(2) . . ?
C68 C69 Rh3 71.1(7) . . ?
C65 C69 Rh3 70.7(6) . . ?
C74 C69 Rh3 123.1(9) . . ?
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 . . ?
C76 C75 C79 108.3(10) . . ?
C76 C75 C80 126.2(12) . . ?
C79 C75 C80 125.5(9) . . ?
C76 C75 Rh4 70.7(5) . . ?
C79 C75 Rh4 69.8(5) . . ?
C80 C75 Rh4 124.0(7) . . ?
C75 C76 C81 128.6(16) . . ?
C75 C76 C77 108.9(12) . . ?
C81 C76 C77 122.5(14) . . ?
C75 C76 Rh4 71.6(6) . . ?
C81 C76 Rh4 123.5(9) . . ?
C77 C76 Rh4 68.9(6) . . ?
C76 C77 C78 107.5(9) . . ?
C76 C77 C82 131.0(15) . . ?
C78 C77 C82 121.5(15) . . ?
C76 C77 Rh4 71.0(6) . . ?
C78 C77 Rh4 70.5(5) . . ?
C82 C77 Rh4 124.1(8) . . ?
C79 C78 C83 129.3(11) . . ?
C79 C78 C77 104.6(11) . . ?
C83 C78 C77 126.0(11) . . ?
C79 C78 Rh4 70.6(6) . . ?
C83 C78 Rh4 123.1(8) . . ?
C77 C78 Rh4 68.0(6) . . ?
C78 C79 C75 110.7(9) . . ?
C78 C79 C84 121.9(10) . . ?
C75 C79 C84 127.4(9) . . ?
C78 C79 Rh4 70.8(6) . . ?
C75 C79 Rh4 70.6(5) . . ?
C84 C79 Rh4 127.3(7) . . ?
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 . . ?
O11 C85 C90 123.6(10) . . ?
O11 C85 C86 115.6(9) . . ?
C90 C85 C86 120.7(9) . . ?
O12 C86 C87 122.7(10) . . ?
O12 C86 C85 115.6(9) . . ?
C87 C86 C85 121.6(10) . . ?
C88 C87 C86 117.7(11) . . ?
C88 C87 H87 121.2 . . ?
C86 C87 H87 121.2 . . ?
O13 C88 C87 123.0(10) . . ?
O13 C88 C89 116.0(9) . . ?
C87 C88 C89 120.9(10) . . ?
O14 C89 C90 121.8(11) . . ?
O14 C89 C88 118.0(10) . . ?
C90 C89 C88 120.2(10) . . ?
C85 C90 C89 117.7(10) . . ?
C85 C90 H90 121.2 . . ?
C89 C90 H90 121.2 . . ?
O16 C91 C96 123.3(6) . . ?
O16 C91 C92 115.8(6) . . ?
C96 C91 C92 120.9(6) . . ?
O15 C92 C93 124.9(6) . . ?
O15 C92 C91 116.7(6) . . ?
C93 C92 C91 118.4(7) . . ?
C94 C93 C92 121.2(7) . . ?
C94 C93 H93 119.4 . . ?
C92 C93 H93 119.4 . . ?
O18 C94 C93 125.9(7) . . ?
O18 C94 C95 114.4(7) . . ?
C93 C94 C95 119.2(6) . . ?
O17 C95 C96 124.4(7) . . ?
O17 C95 C94 116.0(6) . . ?
C96 C95 C94 119.5(7) . . ?
C95 C96 C91 119.7(7) . . ?
C95 C96 H96 120.1 . . ?
C91 C96 H96 120.1 . . ?
N9 C97 C98 124.0(9) . . ?
N9 C97 H97 118.0 . . ?
C98 C97 H97 118.0 . . ?
C99 C98 C97 119.2(8) . . ?
C99 C98 H98 120.4 . . ?
C97 C98 H98 120.4 . . ?
C98 C99 C100 116.8(7) . . ?
C98 C99 C103 121.9(7) . . ?
C100 C99 C103 121.2(7) . . ?
C101 C100 C99 118.0(9) . . ?
C101 C100 H100 121.0 . . ?
C99 C100 H100 121.0 . . ?
N9 C101 C100 124.9(9) . . ?
N9 C101 H101 117.6 . . ?
C100 C101 H101 117.6 . . ?
C102 C103 C104 112.4(12) . . ?
C104 C103 N10 104.5(10) . . ?
C102 C103 C99 118.5(13) . . ?
C104 C103 C99 128.2(7) . . ?
N10 C103 C99 127.2(11) . . ?
C105 C104 C103 113.0(7) . . ?
C105 C104 C207 100.1(10) . . ?
C103 C104 C207 146.9(11) . . ?
C105 C104 S6 113.8(6) . . ?
C103 C104 S6 133.2(6) . . ?
C106 C105 C104 113.6(7) . . ?
C106 C105 C202 142.3(12) . . ?
C104 C105 C202 104.2(11) . . ?
C106 C105 S5 135.1(6) . . ?
C104 C105 S5 111.3(6) . . ?
N11 C106 C105 104.2(14) . . ?
N11 C106 C110 125.7(14) . . ?
C105 C106 C110 130.0(8) . . ?
C105 C106 C107 111.4(12) . . ?
C110 C106 C107 118.5(12) . . ?
N12 C108 C109 121.7(7) . . ?
N12 C108 H108 119.2 . . ?
C109 C108 H108 119.2 . . ?
C108 C109 C110 121.6(8) . . ?
C108 C109 H109 119.2 . . ?
C110 C109 H109 119.2 . . ?
C111 C110 C109 116.1(7) . . ?
C111 C110 C106 121.8(7) . . ?
C109 C110 C106 122.1(8) . . ?
C110 C111 C112 120.8(8) . . ?
C110 C111 H111 119.6 . . ?
C112 C111 H111 119.6 . . ?
N12 C112 C111 121.8(8) . . ?
N12 C112 H112 119.1 . . ?
C111 C112 H112 119.1 . . ?
N13 C113 C114 123.3(12) . . ?
N13 C113 H113 118.3 . . ?
C114 C113 H113 118.3 . . ?
C115 C114 C113 117.5(11) . . ?
C115 C114 H114 121.2 . . ?
C113 C114 H114 121.2 . . ?
C114 C115 C116 119.3(11) . . ?
C114 C115 C119 122.4(11) . . ?
C116 C115 C119 118.3(11) . . ?
C117 C116 C115 116.9(13) . . ?
C117 C116 H116 121.6 . . ?
C115 C116 H116 121.6 . . ?
C116 C117 N13 124.3(14) . . ?
C116 C117 H117 117.9 . . ?
N13 C117 H117 117.9 . . ?
C119 C118 S7 114.1(9) . . ?
C119 C118 H118 122.9 . . ?
S7 C118 H118 122.9 . . ?
C118 C119 C120 111.2(10) . . ?
C118 C119 C115 128.2(11) . . ?
C120 C119 C115 120.6(11) . . ?
C121 C120 C119 111.3(10) . . ?
C121 C120 S8 111.6(9) . . ?
C119 C120 S8 136.9(9) . . ?
C122 C121 C120 112.7(11) . . ?
C122 C121 S7 136.7(8) . . ?
C120 C121 S7 110.5(9) . . ?
C123 C122 C121 110.7(10) . . ?
C123 C122 C126 124.4(13) . . ?
C121 C122 C126 124.9(11) . . ?
C122 C123 S8 114.9(11) . . ?
C122 C123 H123 122.6 . . ?
S8 C123 H123 122.6 . . ?
N16 C124 C125 124.9(11) . . ?
N16 C124 H124 117.6 . . ?
C125 C124 H124 117.6 . . ?
C126 C125 C124 118.9(11) . . ?
C126 C125 H125 120.6 . . ?
C124 C125 H125 120.6 . . ?
C125 C126 C127 115.8(10) . . ?
C125 C126 C122 124.5(11) . . ?
C127 C126 C122 119.6(11) . . ?
C128 C127 C126 121.6(11) . . ?
C128 C127 H127 119.2 . . ?
C126 C127 H127 119.2 . . ?
N16 C128 C127 120.1(12) . . ?
N16 C128 H128 119.9 . . ?
C127 C128 H128 119.9 . . ?
C133 C129 C130 104.3(12) . . ?
C133 C129 C134 131.8(15) . . ?
C130 C129 C134 123.8(14) . . ?
C133 C129 Rh5 69.7(6) . . ?
C130 C129 Rh5 67.8(6) . . ?
C134 C129 Rh5 124.2(7) . . ?
C135 C130 C131 128(2) . . ?
C135 C130 C129 124.0(19) . . ?
C131 C130 C129 108.0(14) . . ?
C135 C130 Rh5 124.8(10) . . ?
C131 C130 Rh5 73.1(8) . . ?
C129 C130 Rh5 71.7(6) . . ?
C132 C131 C130 107.7(17) . . ?
C132 C131 C136 128(2) . . ?
C130 C131 C136 124(2) . . ?
C132 C131 Rh5 70.7(9) . . ?
C130 C131 Rh5 68.4(7) . . ?
C136 C131 Rh5 123.0(12) . . ?
C131 C132 C133 112.7(17) . . ?
C131 C132 C137 124.1(18) . . ?
C133 C132 C137 123(2) . . ?
C131 C132 Rh5 73.5(10) . . ?
C133 C132 Rh5 70.9(7) . . ?
C137 C132 Rh5 125.6(11) . . ?
C132 C133 C129 107.1(15) . . ?
C132 C133 C138 127.0(17) . . ?
C129 C133 C138 125.8(15) . . ?
C132 C133 Rh5 70.8(9) . . ?
C129 C133 Rh5 71.5(6) . . ?
C138 C133 Rh5 124.9(8) . . ?
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 . . ?
C140 C139 C143 105.4(12) . . ?
C140 C139 C144 123.1(14) . . ?
C143 C139 C144 131.4(15) . . ?
C140 C139 Rh6 69.7(8) . . ?
C143 C139 Rh6 68.7(7) . . ?
C144 C139 Rh6 122.8(10) . . ?
C141 C140 C139 116.1(15) . . ?
C141 C140 C145 120.8(18) . . ?
C139 C140 C145 123.0(16) . . ?
C141 C140 Rh6 76.0(10) . . ?
C139 C140 Rh6 71.8(8) . . ?
C145 C140 Rh6 124.4(12) . . ?
C140 C141 C146 130(2) . . ?
C140 C141 C142 101.0(14) . . ?
C146 C141 C142 128.1(19) . . ?
C140 C141 Rh6 67.5(9) . . ?
C146 C141 Rh6 120.7(14) . . ?
C142 C141 Rh6 65.5(8) . . ?
C143 C142 C147 127(2) . . ?
C143 C142 C141 109.0(13) . . ?
C147 C142 C141 124(2) . . ?
C143 C142 Rh6 70.3(8) . . ?
C147 C142 Rh6 125.6(12) . . ?
C141 C142 Rh6 72.8(9) . . ?
C142 C143 C148 121.3(17) . . ?
C142 C143 C139 108.4(14) . . ?
C148 C143 C139 130.2(18) . . ?
C142 C143 Rh6 71.3(10) . . ?
C148 C143 Rh6 125.1(11) . . ?
C139 C143 Rh6 71.8(7) . . ?
C139 C144 H14A 109.5 . . ?
C139 C144 H14B 109.5 . . ?
H14A C144 H14B 109.5 . . ?
C139 C144 H14C 109.5 . . ?
H14A 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 . . ?
C150 C149 C153 105.8(8) . . ?
C150 C149 C154 124.5(10) . . ?
C153 C149 C154 129.7(10) . . ?
C150 C149 Rh7 69.0(5) . . ?
C153 C149 Rh7 68.6(5) . . ?
C154 C149 Rh7 125.6(7) . . ?
C151 C150 C149 108.1(9) . . ?
C151 C150 C155 128.1(10) . . ?
C149 C150 C155 123.8(9) . . ?
C151 C150 Rh7 69.4(5) . . ?
C149 C150 Rh7 72.0(5) . . ?
C155 C150 Rh7 123.2(7) . . ?
C152 C151 C150 109.1(9) . . ?
C152 C151 C156 125.9(10) . . ?
C150 C151 C156 124.9(10) . . ?
C152 C151 Rh7 72.6(5) . . ?
C150 C151 Rh7 71.3(5) . . ?
C156 C151 Rh7 124.0(7) . . ?
C151 C152 C153 108.3(9) . . ?
C151 C152 C157 128.5(10) . . ?
C153 C152 C157 123.1(11) . . ?
C151 C152 Rh7 69.4(5) . . ?
C153 C152 Rh7 69.7(5) . . ?
C157 C152 Rh7 123.8(7) . . ?
C152 C153 C149 108.5(9) . . ?
C152 C153 C158 128.5(11) . . ?
C149 C153 C158 122.8(11) . . ?
C152 C153 Rh7 71.4(5) . . ?
C149 C153 Rh7 72.1(5) . . ?
C158 C153 Rh7 126.2(7) . . ?
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 108.0 . . ?
C160 C159 C164 126.0 . . ?
C163 C159 C164 126.0 . . ?
C160 C159 Rh8 76.9(4) . . ?
C163 C159 Rh8 69.2(3) . . ?
C164 C159 Rh8 119.6(3) . . ?
C161 C160 C159 108.0 . . ?
C161 C160 C165 126.0 . . ?
C159 C160 C165 126.0 . . ?
C161 C160 Rh8 75.2(3) . . ?
C159 C160 Rh8 63.9(4) . . ?
C165 C160 Rh8 126.2(2) . . ?
C160 C161 C162 108.0 . . ?
C160 C161 C166 126.0 . . ?
C162 C161 C166 126.0 . . ?
C160 C161 Rh8 67.9(2) . . ?
C162 C161 Rh8 67.6(2) . . ?
C166 C161 Rh8 130.0(3) . . ?
C163 C162 C161 108.0 . . ?
C163 C162 C167 126.0 . . ?
C161 C162 C167 126.0 . . ?
C163 C162 Rh8 64.0(4) . . ?
C161 C162 Rh8 75.4(3) . . ?
C167 C162 Rh8 126.0(2) . . ?
C162 C163 C159 108.0 . . ?
C162 C163 C168 126.0 . . ?
C159 C163 C168 126.0 . . ?
C162 C163 Rh8 76.8(4) . . ?
C159 C163 Rh8 69.6(2) . . ?
C168 C163 Rh8 119.4(3) . . ?
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 . . ?
C260 C259 C263 108.0 . . ?
C260 C259 C264 126.0 . . ?
C263 C259 C264 126.0 . . ?
C260 C259 Rh8 67.5(3) . . ?
C263 C259 Rh8 72.3(3) . . ?
C264 C259 Rh8 125.7(2) . . ?
C259 C260 C261 108.0 . . ?
C259 C260 C265 126.0 . . ?
C261 C260 C265 126.0 . . ?
C259 C260 Rh8 74.2(4) . . ?
C261 C260 Rh8 69.2(3) . . ?
C265 C260 Rh8 122.3(3) . . ?
C262 C261 C260 108.0 . . ?
C262 C261 C266 126.0 . . ?
C260 C261 C266 126.0 . . ?
C262 C261 Rh8 73.2(3) . . ?
C260 C261 Rh8 71.3(2) . . ?
C266 C261 Rh8 121.2(3) . . ?
C261 C262 C263 108.0 . . ?
C261 C262 C267 126.0 . . ?
C263 C262 C267 126.0 . . ?
C261 C262 Rh8 67.8(3) . . ?
C263 C262 Rh8 73.8(3) . . ?
C267 C262 Rh8 124.0(2) . . ?
C262 C263 C259 108.0 . . ?
C262 C263 C268 126.0 . . ?
C259 C263 C268 126.0 . . ?
C262 C263 Rh8 68.5(3) . . ?
C259 C263 Rh8 70.3(2) . . ?
C268 C263 Rh8 126.8(3) . . ?
C259 C264 H26A 109.5 . . ?
C259 C264 H26B 109.5 . . ?
H26A C264 H26B 109.5 . . ?
C259 C264 H26C 109.5 . . ?
H26A C264 H26C 109.5 . . ?
H26B C264 H26C 109.5 . . ?
C260 C265 H26D 109.5 . . ?
C260 C265 H26E 109.5 . . ?
H26D C265 H26E 109.5 . . ?
C260 C265 H26F 109.5 . . ?
H26D C265 H26F 109.5 . . ?
H26E C265 H26F 109.5 . . ?
C261 C266 H26G 109.5 . . ?
C261 C266 H26H 109.5 . . ?
H26G C266 H26H 109.5 . . ?
C261 C266 H26I 109.5 . . ?
H26G C266 H26I 109.5 . . ?
H26H C266 H26I 109.5 . . ?
C262 C267 H26J 109.5 . . ?
C262 C267 H26K 109.5 . . ?
H26J C267 H26K 109.5 . . ?
C262 C267 H26L 109.5 . . ?
H26J C267 H26L 109.5 . . ?
H26K C267 H26L 109.5 . . ?
C263 C268 H26M 109.5 . . ?
C263 C268 H26N 109.5 . . ?
H26M C268 H26N 109.5 . . ?
C263 C268 H26O 109.5 . . ?
H26M C268 H26O 109.5 . . ?
H26N C268 H26O 109.5 . . ?
F3 C169 F1 103.0(19) . . ?
F3 C169 F2 109(2) . . ?
F1 C169 F2 116.6(19) . . ?
F3 C169 S9 110.9(15) . . ?
F1 C169 S9 111.3(14) . . ?
F2 C169 S9 106.3(14) . . ?
F6 C170 F4 105.6(16) . . ?
F6 C170 F5 116(2) . . ?
F4 C170 F5 105.0(16) . . ?
F6 C170 S10 107.3(15) . . ?
F4 C170 S10 110.0(18) . . ?
F5 C170 S10 112.9(11) . . ?
O29 S11 O28 114.5(14) . . ?
O29 S11 O27 111.8(12) . . ?
O28 S11 O27 114.0(14) . . ?
O29 S11 C171 107.8(13) . . ?
O28 S11 C171 110.0(12) . . ?
O27 S11 C171 97.1(16) . . ?
F8 C171 F7 106(2) . . ?
F8 C171 F9 108(2) . . ?
F7 C171 F9 101.4(18) . . ?
F8 C171 S11 113(2) . . ?
F7 C171 S11 113.2(18) . . ?
F9 C171 S11 115(2) . . ?
O29' S11' O27' 110(2) . . ?
O29' S11' O28' 110(2) . . ?
O27' S11' O28' 109(2) . . ?
O29' S11' C271 114(2) . . ?
O27' S11' C271 110(3) . . ?
O28' S11' C271 102(2) . . ?
F9' C271 F8' 107(2) . . ?
F9' C271 F7' 105(2) . . ?
F8' C271 F7' 104(2) . . ?
F9' C271 S11' 115(2) . . ?
F8' C271 S11' 112(2) . . ?
F7' C271 S11' 114(2) . . ?
F11 C172 F12 108(2) . . ?
F11 C172 F10 108(2) . . ?
F12 C172 F10 99.4(19) . . ?
F11 C172 S12 116.0(15) . . ?
F12 C172 S12 111(2) . . ?
F10 C172 S12 113.2(19) . . ?
O31 S12 O30 133.1(15) . . ?
O31 S12 O32 105.7(16) . . ?
O30 S12 O32 102.1(12) . . ?
O31 S12 C172 103.8(12) . . ?
O30 S12 C172 105.7(15) . . ?
O32 S12 C172 103.1(14) . . ?
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 2.111(5) . ?
Rh1 O2 2.113(5) . ?
Rh1 C48 2.121(9) . ?
Rh1 C46 2.130(9) . ?
Rh1 N1 2.133(5) . ?
Rh1 C47 2.134(8) . ?
Rh1 C45 2.135(8) . ?
Rh1 C49 2.138(9) . ?
Rh2 C56 2.105(9) . ?
Rh2 N5 2.124(6) . ?
Rh2 O4 2.124(5) . ?
Rh2 C57 2.124(9) . ?
Rh2 O3 2.133(5) . ?
Rh2 C55 2.142(8) . ?
Rh2 C58 2.150(10) . ?
Rh2 C59 2.168(9) . ?
Rh3 C69 2.102(12) . ?
Rh3 O8 2.107(7) . ?
Rh3 C65 2.114(9) . ?
Rh3 O7 2.119(5) . ?
Rh3 C68 2.120(10) . ?
Rh3 C66 2.121(8) . ?
Rh3 N4 2.125(6) . ?
Rh3 C67 2.150(10) . ?
Rh4 N8 2.100(6) . ?
Rh4 O10 2.106(6) . ?
Rh4 O9 2.108(5) . ?
Rh4 C77 2.115(10) . ?
Rh4 C76 2.144(10) . ?
Rh4 C79 2.146(9) . ?
Rh4 C78 2.149(11) . ?
Rh4 C75 2.156(8) . ?
Rh5 O11 2.068(7) . ?
Rh5 C130 2.100(11) . ?
Rh5 O12 2.109(7) . ?
Rh5 C132 2.128(16) . ?
Rh5 C133 2.129(11) . ?
Rh5 N9 2.139(7) . ?
Rh5 C129 2.153(10) . ?
Rh5 C131 2.161(13) . ?
Rh6 C143 2.083(15) . ?
Rh6 C142 2.096(14) . ?
Rh6 C140 2.096(15) . ?
Rh6 O14 2.120(8) . ?
Rh6 C139 2.124(11) . ?
Rh6 N13 2.126(9) . ?
Rh6 O13 2.130(7) . ?
Rh6 C141 2.201(16) . ?
Rh7 C151 2.103(8) . ?
Rh7 O16 2.111(5) . ?
Rh7 O15 2.115(5) . ?
Rh7 C153 2.122(9) . ?
Rh7 C150 2.128(8) . ?
Rh7 N12 2.130(6) . ?
Rh7 C152 2.144(9) . ?
Rh7 C149 2.168(8) . ?
Rh8 C163 1.991(7) . ?
Rh8 C159 1.995(8) . ?
Rh8 C261 2.071(7) . ?
Rh8 O17 2.094(5) . ?
Rh8 N16 2.098(8) . ?
Rh8 C260 2.099(7) . ?
Rh8 O18 2.130(6) . ?
Rh8 C262 2.143(6) . ?
Rh8 C162 2.157(7) . ?
Rh8 C160 2.163(7) . ?
Rh8 C259 2.186(9) . ?
Rh8 C263 2.212(10) . ?
N1 C17 1.326(10) . ?
N1 C13 1.352(9) . ?
N4 C28 1.324(13) . ?
N4 C24 1.340(12) . ?
N5 C29 1.334(11) . ?
N5 C33 1.336(11) . ?
N8 C40 1.313(11) . ?
N8 C44 1.353(10) . ?
N9 C97 1.298(12) . ?
N9 C101 1.350(12) . ?
N12 C112 1.352(10) . ?
N12 C108 1.359(10) . ?
N13 C113 1.290(15) . ?
N13 C117 1.350(17) . ?
N16 C128 1.330(14) . ?
N16 C124 1.335(14) . ?
O1 C1 1.272(8) . ?
O2 C2 1.274(8) . ?
O3 C4 1.261(9) . ?
O4 C5 1.286(9) . ?
O7 C7 1.284(10) . ?
O8 C8 1.256(9) . ?
O9 C10 1.260(10) . ?
O10 C11 1.262(9) . ?
O11 C85 1.250(11) . ?
O12 C86 1.280(12) . ?
O13 C88 1.243(12) . ?
O14 C89 1.251(13) . ?
O15 C92 1.252(9) . ?
O16 C91 1.272(8) . ?
O17 C95 1.287(9) . ?
O18 C94 1.251(8) . ?
O21 S9 1.346(10) . ?
O22 S9 1.421(15) . ?
O23 S9 1.462(14) . ?
O24 S10 1.19(3) . ?
O25 S10 1.459(13) . ?
O26 S10 1.493(14) . ?
S3 C34 1.683(8) . ?
S3 C37 1.711(8) . ?
S4 C39 1.717(8) . ?
S4 C36 1.721(8) . ?
S7 C118 1.663(10) . ?
S7 C121 1.703(13) . ?
S8 C120 1.704(12) . ?
S8 C123 1.748(12) . ?
S9 C169 1.75(2) . ?
S10 C170 1.70(2) . ?
F1 C169 1.328(15) . ?
F2 C169 1.353(16) . ?
F3 C169 1.281(16) . ?
F4 C170 1.35(2) . ?
F5 C170 1.353(19) . ?
F6 C170 1.28(2) . ?
S1 C21 1.599(11) . ?
S1 C18 1.76(3) . ?
S2 C23 1.694(17) . ?
S2 C20 1.782(9) . ?
C18 C19 1.32(5) . ?
C18 H18 0.9500 . ?
C23 C22 1.391(18) . ?
C23 H23 0.9500 . ?
N2 C18' 1.399(19) . ?
N2 C19 1.47(3) . ?
N2 H2 0.8800 . ?
N3 C22 1.331(15) . ?
N3 C23' 1.350(16) . ?
N3 H3 0.8800 . ?
O5 C18' 1.307(17) . ?
O6 C23' 1.193(15) . ?
C18' C21 1.464(17) . ?
C23' C20 1.401(16) . ?
S5 C105 1.637(11) . ?
S5 C102 1.75(3) . ?
S6 C107 1.74(3) . ?
S6 C104 1.792(9) . ?
C102 C103 1.37(3) . ?
C102 H102 0.9500 . ?
C107 C106 1.56(3) . ?
C107 H107 0.9500 . ?
O19 C202 1.283(17) . ?
O20 C207 1.218(16) . ?
N10 C202 1.390(19) . ?
N10 C103 1.419(18) . ?
N10 H10 0.8800 . ?
N11 C106 1.25(3) . ?
N11 C207 1.372(19) . ?
N11 H11 0.8800 . ?
C202 C105 1.469(18) . ?
C207 C104 1.433(17) . ?
C1 C6 1.375(10) . ?
C1 C2 1.504(10) . ?
C2 C3 1.398(10) . ?
C3 C4 1.366(11) . ?
C3 H3A 0.9500 . ?
C4 C5 1.502(11) . ?
C5 C6 1.413(10) . ?
C6 H6 0.9500 . ?
C7 C12 1.398(10) . ?
C7 C8 1.562(13) . ?
C8 C9 1.341(13) . ?
C9 C10 1.422(11) . ?
C9 H9 0.9500 . ?
C10 C11 1.507(12) . ?
C11 C12 1.385(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.365(9) . ?
C13 H13 0.9500 . ?
C14 C15 1.401(10) . ?
C14 H14 0.9500 . ?
C15 C16 1.424(10) . ?
C15 C19 1.434(9) . ?
C16 C17 1.348(11) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C19 C20 1.433(10) . ?
C20 C21 1.381(10) . ?
C21 C22 1.408(11) . ?
C22 C26 1.439(10) . ?
C24 C25 1.365(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.434(13) . ?
C25 H25 0.9500 . ?
C26 C27 1.380(13) . ?
C27 C28 1.377(12) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
C29 C30 1.389(11) . ?
C29 H29 0.9500 . ?
C30 C31 1.384(11) . ?
C30 H30 0.9500 . ?
C31 C32 1.392(12) . ?
C31 C35 1.471(10) . ?
C32 C33 1.330(12) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
C34 C35 1.378(11) . ?
C34 H34 0.9500 . ?
C35 C36 1.428(11) . ?
C36 C37 1.396(9) . ?
C37 C38 1.437(10) . ?
C38 C39 1.352(11) . ?
C38 C42 1.467(10) . ?
C39 H39 0.9500 . ?
C40 C41 1.360(11) . ?
C40 H40 0.9500 . ?
C41 C42 1.397(11) . ?
C41 H41 0.9500 . ?
C42 C43 1.402(11) . ?
C43 C44 1.362(11) . ?
C43 H43 0.9500 . ?
C44 H44 0.9500 . ?
C45 C49 1.388(16) . ?
C45 C46 1.406(15) . ?
C45 C50 1.509(14) . ?
C46 C47 1.438(16) . ?
C46 C51 1.516(14) . ?
C47 C48 1.414(17) . ?
C47 C52 1.471(14) . ?
C48 C49 1.460(15) . ?
C48 C53 1.534(19) . ?
C49 C54 1.491(17) . ?
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 C60 1.436(14) . ?
C55 C56 1.438(14) . ?
C55 C59 1.494(14) . ?
C56 C61 1.447(17) . ?
C56 C57 1.467(15) . ?
C57 C58 1.375(15) . ?
C57 C62 1.558(16) . ?
C58 C59 1.438(13) . ?
C58 C63 1.481(15) . ?
C59 C64 1.421(16) . ?
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 C66 1.360(15) . ?
C65 C69 1.421(14) . ?
C65 C70 1.490(16) . ?
C66 C67 1.332(12) . ?
C66 C71 1.504(14) . ?
C67 C68 1.403(15) . ?
C67 C72 1.60(2) . ?
C68 C69 1.412(14) . ?
C68 C73 1.498(18) . ?
C69 C74 1.46(2) . ?
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 . ?
C75 C76 1.388(15) . ?
C75 C79 1.459(12) . ?
C75 C80 1.483(14) . ?
C76 C81 1.418(19) . ?
C76 C77 1.46(2) . ?
C77 C78 1.511(18) . ?
C77 C82 1.527(16) . ?
C78 C79 1.420(14) . ?
C78 C83 1.502(14) . ?
C79 C84 1.471(14) . ?
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 . ?
C85 C90 1.369(14) . ?
C85 C86 1.495(15) . ?
C86 C87 1.416(14) . ?
C87 C88 1.367(15) . ?
C87 H87 0.9500 . ?
C88 C89 1.515(16) . ?
C89 C90 1.439(14) . ?
C90 H90 0.9500 . ?
C91 C96 1.395(10) . ?
C91 C92 1.496(10) . ?
C92 C93 1.423(10) . ?
C93 C94 1.349(11) . ?
C93 H93 0.9500 . ?
C94 C95 1.547(11) . ?
C95 C96 1.377(10) . ?
C96 H96 0.9500 . ?
C97 C98 1.414(12) . ?
C97 H97 0.9500 . ?
C98 C99 1.410(11) . ?
C98 H98 0.9500 . ?
C99 C100 1.413(12) . ?
C99 C103 1.458(10) . ?
C100 C101 1.393(13) . ?
C100 H100 0.9500 . ?
C101 H101 0.9500 . ?
C103 C104 1.398(11) . ?
C104 C105 1.395(10) . ?
C105 C106 1.394(12) . ?
C106 C110 1.449(11) . ?
C108 C109 1.374(10) . ?
C108 H108 0.9500 . ?
C109 C110 1.390(11) . ?
C109 H109 0.9500 . ?
C110 C111 1.389(12) . ?
C111 C112 1.390(11) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C114 1.399(15) . ?
C113 H113 0.9500 . ?
C114 C115 1.381(15) . ?
C114 H114 0.9500 . ?
C115 C116 1.425(17) . ?
C115 C119 1.481(15) . ?
C116 C117 1.341(17) . ?
C116 H116 0.9500 . ?
C117 H117 0.9500 . ?
C118 C119 1.370(15) . ?
C118 H118 0.9500 . ?
C119 C120 1.429(13) . ?
C120 C121 1.422(13) . ?
C121 C122 1.421(16) . ?
C122 C123 1.341(16) . ?
C122 C126 1.443(14) . ?
C123 H123 0.9500 . ?
C124 C125 1.381(15) . ?
C124 H124 0.9500 . ?
C125 C126 1.378(15) . ?
C125 H125 0.9500 . ?
C126 C127 1.429(16) . ?
C127 C128 1.394(16) . ?
C127 H127 0.9500 . ?
C128 H128 0.9500 . ?
C129 C133 1.421(13) . ?
C129 C130 1.473(19) . ?
C129 C134 1.475(19) . ?
C130 C135 1.37(2) . ?
C130 C131 1.41(2) . ?
C131 C132 1.32(2) . ?
C131 C136 1.48(2) . ?
C132 C133 1.398(19) . ?
C132 C137 1.48(2) . ?
C133 C138 1.477(15) . ?
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 C140 1.391(19) . ?
C139 C143 1.424(14) . ?
C139 C144 1.452(13) . ?
C140 C141 1.350(16) . ?
C140 C145 1.57(2) . ?
C141 C146 1.527(16) . ?
C141 C142 1.53(3) . ?
C142 C143 1.37(2) . ?
C142 C147 1.51(2) . ?
C143 C148 1.37(2) . ?
C144 H14A 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 C150 1.437(13) . ?
C149 C153 1.442(14) . ?
C149 C154 1.468(14) . ?
C150 C151 1.421(11) . ?
C150 C155 1.497(14) . ?
C151 C152 1.383(14) . ?
C151 C156 1.582(14) . ?
C152 C153 1.420(12) . ?
C152 C157 1.485(15) . ?
C153 C158 1.508(15) . ?
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 1.402(4) . ?
C159 C163 1.402(4) . ?
C159 C164 1.490(4) . ?
C160 C161 1.401(4) . ?
C160 C165 1.490(4) . ?
C161 C162 1.402(4) . ?
C161 C166 1.490(4) . ?
C162 C163 1.401(4) . ?
C162 C167 1.489(4) . ?
C163 C168 1.490(4) . ?
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 . ?
C259 C260 1.409(4) . ?
C259 C263 1.409(4) . ?
C259 C264 1.497(4) . ?
C260 C261 1.409(4) . ?
C260 C265 1.498(4) . ?
C261 C262 1.409(4) . ?
C261 C266 1.498(4) . ?
C262 C263 1.409(4) . ?
C262 C267 1.498(4) . ?
C263 C268 1.497(4) . ?
C264 H26A 0.9800 . ?
C264 H26B 0.9800 . ?
C264 H26C 0.9800 . ?
C265 H26D 0.9800 . ?
C265 H26E 0.9800 . ?
C265 H26F 0.9800 . ?
C266 H26G 0.9800 . ?
C266 H26H 0.9800 . ?
C266 H26I 0.9800 . ?
C267 H26J 0.9800 . ?
C267 H26K 0.9800 . ?
C267 H26L 0.9800 . ?
C268 H26M 0.9800 . ?
C268 H26N 0.9800 . ?
C268 H26O 0.9800 . ?
S11 O29 1.373(14) . ?
S11 O28 1.445(14) . ?
S11 O27 1.493(15) . ?
S11 C171 1.79(3) . ?
C171 F8 1.27(3) . ?
C171 F7 1.30(3) . ?
C171 F9 1.320(16) . ?
S11' O29' 1.420(18) . ?
S11' O27' 1.446(19) . ?
S11' O28' 1.463(18) . ?
S11' C271 1.78(3) . ?
C271 F9' 1.302(19) . ?
C271 F8' 1.314(19) . ?
C271 F7' 1.331(19) . ?
C172 F11 1.33(2) . ?
C172 F12 1.37(3) . ?
C172 F10 1.42(2) . ?
C172 S12 1.82(2) . ?
O30 S12 1.442(13) . ?
O31 S12 1.334(14) . ?
O32 S12 1.527(15) . ?
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
C21 S1 C18 C19 -1(4) . . . . ?
C20 S2 C23 C22 10(4) . . . . ?
C19 N2 C18' O5 177(3) . . . . ?
C19 N2 C18' C21 2(6) . . . . ?
C22 N3 C23' O6 173(3) . . . . ?
C22 N3 C23' C20 -4(4) . . . . ?
C105 S5 C102 C103 9.8(18) . . . . ?
C104 S6 C107 C106 1(2) . . . . ?
C103 N10 C202 O19 -180(5) . . . . ?
C103 N10 C202 C105 -8(6) . . . . ?
C106 N11 C207 O20 172(3) . . . . ?
C106 N11 C207 C104 1(4) . . . . ?
Rh1 O1 C1 C6 -173.7(6) . . . . ?
Rh1 O1 C1 C2 5.6(7) . . . . ?
Rh1 O2 C2 C3 -174.1(5) . . . . ?
Rh1 O2 C2 C1 6.8(7) . . . . ?
O1 C1 C2 O2 -8.5(9) . . . . ?
C6 C1 C2 O2 170.8(6) . . . . ?
O1 C1 C2 C3 172.4(6) . . . . ?
C6 C1 C2 C3 -8.3(10) . . . . ?
O2 C2 C3 C4 -177.1(6) . . . . ?
C1 C2 C3 C4 1.9(10) . . . . ?
Rh2 O3 C4 C3 -171.8(6) . . . . ?
Rh2 O3 C4 C5 5.5(8) . . . . ?
C2 C3 C4 O3 -177.3(7) . . . . ?
C2 C3 C4 C5 5.5(10) . . . . ?
Rh2 O4 C5 C6 -179.2(6) . . . . ?
Rh2 O4 C5 C4 -1.0(8) . . . . ?
O3 C4 C5 O4 -3.1(10) . . . . ?
C3 C4 C5 O4 174.3(7) . . . . ?
O3 C4 C5 C6 175.1(7) . . . . ?
C3 C4 C5 C6 -7.4(11) . . . . ?
O1 C1 C6 C5 -174.4(7) . . . . ?
C2 C1 C6 C5 6.4(11) . . . . ?
O4 C5 C6 C1 179.3(7) . . . . ?
C4 C5 C6 C1 1.2(11) . . . . ?
Rh3 O7 C7 C12 -174.2(5) . . . . ?
Rh3 O7 C7 C8 3.4(7) . . . . ?
Rh3 O8 C8 C9 -173.7(7) . . . . ?
Rh3 O8 C8 C7 4.3(8) . . . . ?
O7 C7 C8 O8 -5.2(9) . . . . ?
C12 C7 C8 O8 172.6(6) . . . . ?
O7 C7 C8 C9 172.9(7) . . . . ?
C12 C7 C8 C9 -9.3(11) . . . . ?
O8 C8 C9 C10 -175.3(7) . . . . ?
C7 C8 C9 C10 6.8(12) . . . . ?
Rh4 O9 C10 C9 176.0(6) . . . . ?
Rh4 O9 C10 C11 -4.2(8) . . . . ?
C8 C9 C10 O9 179.6(8) . . . . ?
C8 C9 C10 C11 -0.2(12) . . . . ?
Rh4 O10 C11 C12 -169.3(5) . . . . ?
Rh4 O10 C11 C10 10.5(8) . . . . ?
O9 C10 C11 O10 -4.3(10) . . . . ?
C9 C10 C11 O10 175.5(7) . . . . ?
O9 C10 C11 C12 175.5(7) . . . . ?
C9 C10 C11 C12 -4.7(11) . . . . ?
O10 C11 C12 C7 -178.0(7) . . . . ?
C10 C11 C12 C7 2.2(10) . . . . ?
O7 C7 C12 C11 -178.1(7) . . . . ?
C8 C7 C12 C11 4.3(10) . . . . ?
C17 N1 C13 C14 -2.0(9) . . . . ?
Rh1 N1 C13 C14 178.5(5) . . . . ?
N1 C13 C14 C15 -0.1(10) . . . . ?
C13 C14 C15 C16 2.1(9) . . . . ?
C13 C14 C15 C19 -175.9(6) . . . . ?
C14 C15 C16 C17 -2.1(10) . . . . ?
C19 C15 C16 C17 175.9(7) . . . . ?
C13 N1 C17 C16 2.0(10) . . . . ?
Rh1 N1 C17 C16 -178.5(6) . . . . ?
C15 C16 C17 N1 0.1(12) . . . . ?
S1 C18 C19 C20 1(4) . . . . ?
S1 C18 C19 C15 -176.3(18) . . . . ?
C14 C15 C19 C18 162(3) . . . . ?
C16 C15 C19 C18 -16(3) . . . . ?
C14 C15 C19 C20 -14.9(10) . . . . ?
C16 C15 C19 C20 167.2(6) . . . . ?
C14 C15 C19 N2 162.4(19) . . . . ?
C16 C15 C19 N2 -15(2) . . . . ?
C18' N2 C19 C20 -1(4) . . . . ?
C18' N2 C19 C15 -178(4) . . . . ?
O6 C23' C20 C21 -175(3) . . . . ?
N3 C23' C20 C21 2(3) . . . . ?
O6 C23' C20 C19 7(4) . . . . ?
N3 C23' C20 C19 -176(2) . . . . ?
C18 C19 C20 C21 0(3) . . . . ?
C15 C19 C20 C21 176.4(6) . . . . ?
N2 C19 C20 C21 -1.4(16) . . . . ?
C15 C19 C20 C23' -6(2) . . . . ?
N2 C19 C20 C23' 177(2) . . . . ?
C18 C19 C20 S2 177(3) . . . . ?
C15 C19 C20 S2 -6.3(10) . . . . ?
C23 S2 C20 C21 -6(2) . . . . ?
C23 S2 C20 C19 177(2) . . . . ?
C23' C20 C21 C22 0.6(12) . . . . ?
C19 C20 C21 C22 179.6(5) . . . . ?
S2 C20 C21 C22 1.8(8) . . . . ?
C23' C20 C21 C18' -176(3) . . . . ?
C19 C20 C21 C18' 3(3) . . . . ?
C19 C20 C21 S1 -0.4(11) . . . . ?
S2 C20 C21 S1 -178.2(10) . . . . ?
O5 C18' C21 C20 -175(8) . . . . ?
N2 C18' C21 C20 -3(5) . . . . ?
O5 C18' C21 C22 9(13) . . . . ?
N2 C18' C21 C22 -178.4(19) . . . . ?
C18 S1 C21 C20 1(2) . . . . ?
C18 S1 C21 C22 -179.3(19) . . . . ?
C23' N3 C22 C21 4(3) . . . . ?
C23' N3 C22 C26 -177.7(17) . . . . ?
S2 C23 C22 C21 -11(5) . . . . ?
S2 C23 C22 C26 174(3) . . . . ?
C20 C21 C22 N3 -3.1(19) . . . . ?
C18' C21 C22 N3 172(5) . . . . ?
C20 C21 C22 C23 5(3) . . . . ?
S1 C21 C22 C23 -175(3) . . . . ?
C20 C21 C22 C26 179.0(7) . . . . ?
C18' C21 C22 C26 -6(5) . . . . ?
S1 C21 C22 C26 -1.1(17) . . . . ?
C28 N4 C24 C25 0.8(12) . . . . ?
Rh3 N4 C24 C25 -175.7(6) . . . . ?
N4 C24 C25 C26 -0.9(11) . . . . ?
C24 C25 C26 C27 0.5(11) . . . . ?
C24 C25 C26 C22 -179.6(7) . . . . ?
N3 C22 C26 C27 -2(2) . . . . ?
C23 C22 C26 C27 -11(3) . . . . ?
C21 C22 C26 C27 175.7(8) . . . . ?
N3 C22 C26 C25 178(2) . . . . ?
C23 C22 C26 C25 169(3) . . . . ?
C21 C22 C26 C25 -4.2(11) . . . . ?
C25 C26 C27 C28 -0.1(12) . . . . ?
C22 C26 C27 C28 180.0(8) . . . . ?
C24 N4 C28 C27 -0.4(13) . . . . ?
Rh3 N4 C28 C27 176.1(7) . . . . ?
C26 C27 C28 N4 0.1(14) . . . . ?
C33 N5 C29 C30 -0.9(11) . . . . ?
Rh2 N5 C29 C30 172.1(6) . . . . ?
N5 C29 C30 C31 -0.4(11) . . . . ?
C29 C30 C31 C32 1.0(11) . . . . ?
C29 C30 C31 C35 -176.4(6) . . . . ?
C30 C31 C32 C33 -0.4(12) . . . . ?
C35 C31 C32 C33 177.1(8) . . . . ?
C31 C32 C33 N5 -1.0(14) . . . . ?
C29 N5 C33 C32 1.6(13) . . . . ?
Rh2 N5 C33 C32 -171.3(7) . . . . ?
C37 S3 C34 C35 0.0(6) . . . . ?
S3 C34 C35 C36 0.0(7) . . . . ?
S3 C34 C35 C31 -179.1(5) . . . . ?
C30 C31 C35 C34 162.4(7) . . . . ?
C32 C31 C35 C34 -14.9(10) . . . . ?
C30 C31 C35 C36 -16.5(10) . . . . ?
C32 C31 C35 C36 166.2(7) . . . . ?
C34 C35 C36 C37 0.0(8) . . . . ?
C31 C35 C36 C37 179.0(6) . . . . ?
C34 C35 C36 S4 177.5(6) . . . . ?
C31 C35 C36 S4 -3.5(10) . . . . ?
C39 S4 C36 C37 1.3(5) . . . . ?
C39 S4 C36 C35 -176.2(7) . . . . ?
C35 C36 C37 C38 177.0(5) . . . . ?
S4 C36 C37 C38 -1.1(7) . . . . ?
C35 C36 C37 S3 0.0(7) . . . . ?
S4 C36 C37 S3 -178.0(3) . . . . ?
C34 S3 C37 C36 0.0(5) . . . . ?
C34 S3 C37 C38 -176.0(7) . . . . ?
C36 C37 C38 C39 0.1(8) . . . . ?
S3 C37 C38 C39 175.9(6) . . . . ?
C36 C37 C38 C42 179.0(6) . . . . ?
S3 C37 C38 C42 -5.1(11) . . . . ?
C37 C38 C39 S4 1.0(8) . . . . ?
C42 C38 C39 S4 -178.0(5) . . . . ?
C36 S4 C39 C38 -1.4(6) . . . . ?
C44 N8 C40 C41 -1.1(13) . . . . ?
Rh4 N8 C40 C41 174.5(7) . . . . ?
N8 C40 C41 C42 0.3(14) . . . . ?
C40 C41 C42 C43 0.9(11) . . . . ?
C40 C41 C42 C38 -176.4(8) . . . . ?
C39 C38 C42 C41 165.4(8) . . . . ?
C37 C38 C42 C41 -13.4(11) . . . . ?
C39 C38 C42 C43 -11.8(11) . . . . ?
C37 C38 C42 C43 169.5(7) . . . . ?
C41 C42 C43 C44 -1.2(11) . . . . ?
C38 C42 C43 C44 176.2(7) . . . . ?
C40 N8 C44 C43 0.8(12) . . . . ?
Rh4 N8 C44 C43 -174.6(6) . . . . ?
C42 C43 C44 N8 0.4(12) . . . . ?
C49 C45 C46 C47 2.2(9) . . . . ?
C50 C45 C46 C47 -177.3(7) . . . . ?
Rh1 C45 C46 C47 62.3(5) . . . . ?
C49 C45 C46 C51 179.1(9) . . . . ?
C50 C45 C46 C51 -0.5(14) . . . . ?
Rh1 C45 C46 C51 -120.9(9) . . . . ?
C49 C45 C46 Rh1 -60.0(6) . . . . ?
C50 C45 C46 Rh1 120.4(8) . . . . ?
C45 C46 C47 C48 -3.6(9) . . . . ?
C51 C46 C47 C48 179.4(9) . . . . ?
Rh1 C46 C47 C48 59.0(6) . . . . ?
C45 C46 C47 C52 179.5(8) . . . . ?
C51 C46 C47 C52 2.6(14) . . . . ?
Rh1 C46 C47 C52 -117.8(8) . . . . ?
C45 C46 C47 Rh1 -62.6(5) . . . . ?
C51 C46 C47 Rh1 120.4(9) . . . . ?
C46 C47 C48 C49 3.6(9) . . . . ?
C52 C47 C48 C49 -179.6(8) . . . . ?
Rh1 C47 C48 C49 62.6(6) . . . . ?
C46 C47 C48 C53 179.9(10) . . . . ?
C52 C47 C48 C53 -3.3(16) . . . . ?
Rh1 C47 C48 C53 -121.1(11) . . . . ?
C46 C47 C48 Rh1 -59.0(6) . . . . ?
C52 C47 C48 Rh1 117.8(9) . . . . ?
C46 C45 C49 C48 -0.1(9) . . . . ?
C50 C45 C49 C48 179.5(8) . . . . ?
Rh1 C45 C49 C48 -59.7(6) . . . . ?
C46 C45 C49 C54 177.7(9) . . . . ?
C50 C45 C49 C54 -2.7(14) . . . . ?
Rh1 C45 C49 C54 118.1(10) . . . . ?
C46 C45 C49 Rh1 59.7(6) . . . . ?
C50 C45 C49 Rh1 -120.8(8) . . . . ?
C47 C48 C49 C45 -2.2(9) . . . . ?
C53 C48 C49 C45 -178.8(10) . . . . ?
Rh1 C48 C49 C45 60.7(6) . . . . ?
C47 C48 C49 C54 179.9(8) . . . . ?
C53 C48 C49 C54 3.3(14) . . . . ?
Rh1 C48 C49 C54 -117.2(9) . . . . ?
C47 C48 C49 Rh1 -62.9(6) . . . . ?
C53 C48 C49 Rh1 120.5(11) . . . . ?
C60 C55 C56 C61 -2.5(17) . . . . ?
C59 C55 C56 C61 178.1(11) . . . . ?
Rh2 C55 C56 C61 -121.6(12) . . . . ?
C60 C55 C56 C57 -178.6(10) . . . . ?
C59 C55 C56 C57 2.1(10) . . . . ?
Rh2 C55 C56 C57 62.3(6) . . . . ?
C60 C55 C56 Rh2 119.1(10) . . . . ?
C59 C55 C56 Rh2 -60.2(6) . . . . ?
C55 C56 C57 C58 -2.2(11) . . . . ?
C61 C56 C57 C58 -178.4(11) . . . . ?
Rh2 C56 C57 C58 60.9(7) . . . . ?
C55 C56 C57 C62 -178.9(10) . . . . ?
C61 C56 C57 C62 4.9(18) . . . . ?
Rh2 C56 C57 C62 -115.8(11) . . . . ?
C55 C56 C57 Rh2 -63.1(6) . . . . ?
C61 C56 C57 Rh2 120.8(11) . . . . ?
C56 C57 C58 C59 1.5(11) . . . . ?
C62 C57 C58 C59 178.3(10) . . . . ?
Rh2 C57 C58 C59 60.4(6) . . . . ?
C56 C57 C58 C63 179.9(9) . . . . ?
C62 C57 C58 C63 -3.3(16) . . . . ?
Rh2 C57 C58 C63 -121.3(10) . . . . ?
C56 C57 C58 Rh2 -58.9(7) . . . . ?
C62 C57 C58 Rh2 118.0(11) . . . . ?
C57 C58 C59 C64 176.5(10) . . . . ?
C63 C58 C59 C64 -1.9(15) . . . . ?
Rh2 C58 C59 C64 -123.7(10) . . . . ?
C57 C58 C59 C55 -0.1(10) . . . . ?
C63 C58 C59 C55 -178.6(9) . . . . ?
Rh2 C58 C59 C55 59.6(6) . . . . ?
C57 C58 C59 Rh2 -59.8(7) . . . . ?
C63 C58 C59 Rh2 121.8(10) . . . . ?
C60 C55 C59 C64 2.8(16) . . . . ?
C56 C55 C59 C64 -177.9(9) . . . . ?
Rh2 C55 C59 C64 123.0(10) . . . . ?
C60 C55 C59 C58 179.5(10) . . . . ?
C56 C55 C59 C58 -1.2(9) . . . . ?
Rh2 C55 C59 C58 -60.3(6) . . . . ?
C60 C55 C59 Rh2 -120.2(10) . . . . ?
C56 C55 C59 Rh2 59.1(6) . . . . ?
C69 C65 C66 C67 0.2(11) . . . . ?
C70 C65 C66 C67 -178.8(9) . . . . ?
Rh3 C65 C66 C67 61.7(7) . . . . ?
C69 C65 C66 C71 178.8(9) . . . . ?
C70 C65 C66 C71 -0.2(15) . . . . ?
Rh3 C65 C66 C71 -119.6(10) . . . . ?
C69 C65 C66 Rh3 -61.6(6) . . . . ?
C70 C65 C66 Rh3 119.4(9) . . . . ?
C65 C66 C67 C68 -0.4(12) . . . . ?
C71 C66 C67 C68 -179.0(10) . . . . ?
Rh3 C66 C67 C68 60.1(8) . . . . ?
C65 C66 C67 C72 -177.5(11) . . . . ?
C71 C66 C67 C72 3.8(18) . . . . ?
Rh3 C66 C67 C72 -117.0(13) . . . . ?
C65 C66 C67 Rh3 -60.5(7) . . . . ?
C71 C66 C67 Rh3 120.9(10) . . . . ?
C66 C67 C68 C69 0.5(13) . . . . ?
C72 C67 C68 C69 177.8(11) . . . . ?
Rh3 C67 C68 C69 61.2(7) . . . . ?
C66 C67 C68 C73 -178.6(11) . . . . ?
C72 C67 C68 C73 -1.2(18) . . . . ?
Rh3 C67 C68 C73 -117.9(12) . . . . ?
C66 C67 C68 Rh3 -60.7(7) . . . . ?
C72 C67 C68 Rh3 116.7(11) . . . . ?
C67 C68 C69 C65 -0.3(12) . . . . ?
C73 C68 C69 C65 178.6(12) . . . . ?
Rh3 C68 C69 C65 62.3(7) . . . . ?
C67 C68 C69 C74 179.3(11) . . . . ?
C73 C68 C69 C74 -1.7(19) . . . . ?
Rh3 C68 C69 C74 -118.1(11) . . . . ?
C67 C68 C69 Rh3 -62.6(8) . . . . ?
C73 C68 C69 Rh3 116.3(13) . . . . ?
C66 C65 C69 C68 0.1(11) . . . . ?
C70 C65 C69 C68 179.0(10) . . . . ?
Rh3 C65 C69 C68 -62.6(7) . . . . ?
C66 C65 C69 C74 -179.5(13) . . . . ?
C70 C65 C69 C74 -1(2) . . . . ?
Rh3 C65 C69 C74 117.9(14) . . . . ?
C66 C65 C69 Rh3 62.7(6) . . . . ?
C70 C65 C69 Rh3 -118.4(11) . . . . ?
C79 C75 C76 C81 -178.5(11) . . . . ?
C80 C75 C76 C81 -0.1(18) . . . . ?
Rh4 C75 C76 C81 -118.6(13) . . . . ?
C79 C75 C76 C77 -0.8(11) . . . . ?
C80 C75 C76 C77 177.5(9) . . . . ?
Rh4 C75 C76 C77 59.0(7) . . . . ?
C79 C75 C76 Rh4 -59.9(7) . . . . ?
C80 C75 C76 Rh4 118.5(10) . . . . ?
C75 C76 C77 C78 0.6(11) . . . . ?
C81 C76 C77 C78 178.4(10) . . . . ?
Rh4 C76 C77 C78 61.3(7) . . . . ?
C75 C76 C77 C82 -179.9(11) . . . . ?
C81 C76 C77 C82 -2.0(19) . . . . ?
Rh4 C76 C77 C82 -119.1(12) . . . . ?
C75 C76 C77 Rh4 -60.7(7) . . . . ?
C81 C76 C77 Rh4 117.1(11) . . . . ?
C76 C77 C78 C79 -0.1(10) . . . . ?
C82 C77 C78 C79 -179.7(10) . . . . ?
Rh4 C77 C78 C79 61.6(6) . . . . ?
C76 C77 C78 C83 -177.4(10) . . . . ?
C82 C77 C78 C83 3.0(16) . . . . ?
Rh4 C77 C78 C83 -115.7(11) . . . . ?
C76 C77 C78 Rh4 -61.7(7) . . . . ?
C82 C77 C78 Rh4 118.7(10) . . . . ?
C83 C78 C79 C75 176.8(10) . . . . ?
C77 C78 C79 C75 -0.4(10) . . . . ?
Rh4 C78 C79 C75 59.5(7) . . . . ?
C83 C78 C79 C84 -5.3(16) . . . . ?
C77 C78 C79 C84 177.5(9) . . . . ?
Rh4 C78 C79 C84 -122.6(9) . . . . ?
C83 C78 C79 Rh4 117.3(11) . . . . ?
C77 C78 C79 Rh4 -59.9(6) . . . . ?
C76 C75 C79 C78 0.8(11) . . . . ?
C80 C75 C79 C78 -177.6(9) . . . . ?
Rh4 C75 C79 C78 -59.6(7) . . . . ?
C76 C75 C79 C84 -177.0(10) . . . . ?
C80 C75 C79 C84 4.6(16) . . . . ?
Rh4 C75 C79 C84 122.6(10) . . . . ?
C76 C75 C79 Rh4 60.4(7) . . . . ?
C80 C75 C79 Rh4 -118.0(10) . . . . ?
Rh5 O11 C85 C90 -172.8(7) . . . . ?
Rh5 O11 C85 C86 3.8(10) . . . . ?
Rh5 O12 C86 C87 -172.9(7) . . . . ?
Rh5 O12 C86 C85 4.8(10) . . . . ?
O11 C85 C86 O12 -5.8(12) . . . . ?
C90 C85 C86 O12 170.8(9) . . . . ?
O11 C85 C86 C87 171.9(9) . . . . ?
C90 C85 C86 C87 -11.4(14) . . . . ?
O12 C86 C87 C88 -179.6(9) . . . . ?
C85 C86 C87 C88 2.8(14) . . . . ?
Rh6 O13 C88 C87 -174.6(8) . . . . ?
Rh6 O13 C88 C89 2.7(10) . . . . ?
C86 C87 C88 O13 -176.4(9) . . . . ?
C86 C87 C88 C89 6.5(14) . . . . ?
Rh6 O14 C89 C90 -174.5(8) . . . . ?
Rh6 O14 C89 C88 6.3(12) . . . . ?
O13 C88 C89 O14 -6.3(14) . . . . ?
C87 C88 C89 O14 171.1(10) . . . . ?
O13 C88 C89 C90 174.4(9) . . . . ?
C87 C88 C89 C90 -8.2(14) . . . . ?
O11 C85 C90 C89 -174.2(9) . . . . ?
C86 C85 C90 C89 9.4(14) . . . . ?
O14 C89 C90 C85 -179.5(10) . . . . ?
C88 C89 C90 C85 -0.2(14) . . . . ?
Rh7 O16 C91 C96 -175.8(6) . . . . ?
Rh7 O16 C91 C92 4.2(8) . . . . ?
Rh7 O15 C92 C93 -172.9(5) . . . . ?
Rh7 O15 C92 C91 6.5(7) . . . . ?
O16 C91 C92 O15 -7.3(9) . . . . ?
C96 C91 C92 O15 172.7(7) . . . . ?
O16 C91 C92 C93 172.1(6) . . . . ?
C96 C91 C92 C93 -7.9(10) . . . . ?
O15 C92 C93 C94 -178.6(7) . . . . ?
C91 C92 C93 C94 2.1(10) . . . . ?
Rh8 O18 C94 C93 -161.4(6) . . . . ?
Rh8 O18 C94 C95 10.8(8) . . . . ?
C92 C93 C94 O18 179.4(7) . . . . ?
C92 C93 C94 C95 7.5(11) . . . . ?
Rh8 O17 C95 C96 175.3(7) . . . . ?
Rh8 O17 C95 C94 -8.7(9) . . . . ?
O18 C94 C95 O17 -1.5(10) . . . . ?
C93 C94 C95 O17 171.3(7) . . . . ?
O18 C94 C95 C96 174.7(7) . . . . ?
C93 C94 C95 C96 -12.5(11) . . . . ?
O17 C95 C96 C91 -177.3(8) . . . . ?
C94 C95 C96 C91 6.8(12) . . . . ?
O16 C91 C96 C95 -177.0(7) . . . . ?
C92 C91 C96 C95 2.9(12) . . . . ?
C101 N9 C97 C98 -0.1(12) . . . . ?
Rh5 N9 C97 C98 177.0(6) . . . . ?
N9 C97 C98 C99 -1.3(12) . . . . ?
C97 C98 C99 C100 2.2(10) . . . . ?
C97 C98 C99 C103 -174.0(7) . . . . ?
C98 C99 C100 C101 -1.7(12) . . . . ?
C103 C99 C100 C101 174.5(8) . . . . ?
C97 N9 C101 C100 0.6(14) . . . . ?
Rh5 N9 C101 C100 -176.6(7) . . . . ?
C99 C100 C101 N9 0.4(14) . . . . ?
S5 C102 C103 C104 -11.6(19) . . . . ?
S5 C102 C103 C99 178.4(10) . . . . ?
C202 N10 C103 C104 8(4) . . . . ?
C202 N10 C103 C99 -174(4) . . . . ?
C98 C99 C103 C102 150.3(14) . . . . ?
C100 C99 C103 C102 -25.8(16) . . . . ?
C98 C99 C103 C104 -17.9(11) . . . . ?
C100 C99 C103 C104 166.0(7) . . . . ?
C98 C99 C103 N10 164.8(13) . . . . ?
C100 C99 C103 N10 -11.3(16) . . . . ?
C102 C103 C104 C105 8.2(14) . . . . ?
N10 C103 C104 C105 -5.2(12) . . . . ?
C99 C103 C104 C105 177.0(6) . . . . ?
N10 C103 C104 C207 173(3) . . . . ?
C99 C103 C104 C207 -5(3) . . . . ?
C102 C103 C104 S6 -173.5(13) . . . . ?
C99 C103 C104 S6 -4.7(11) . . . . ?
O20 C207 C104 C105 -170(4) . . . . ?
N11 C207 C104 C105 -2(3) . . . . ?
O20 C207 C104 C103 11(6) . . . . ?
N11 C207 C104 C103 -180(2) . . . . ?
C107 S6 C104 C105 -1.6(14) . . . . ?
C107 S6 C104 C103 -179.8(15) . . . . ?
C103 C104 C105 C106 -179.4(6) . . . . ?
C207 C104 C105 C106 1.8(14) . . . . ?
S6 C104 C105 C106 2.0(7) . . . . ?
C103 C104 C105 C202 0(3) . . . . ?
C207 C104 C105 C202 -178(4) . . . . ?
C103 C104 C105 S5 -0.5(9) . . . . ?
S6 C104 C105 S5 -179.1(7) . . . . ?
O19 C202 C105 C106 -6(13) . . . . ?
N10 C202 C105 C106 -175.6(13) . . . . ?
O19 C202 C105 C104 174(8) . . . . ?
N10 C202 C105 C104 5(5) . . . . ?
C102 S5 C105 C106 173.2(11) . . . . ?
C102 S5 C105 C104 -5.3(13) . . . . ?
C207 N11 C106 C105 0(3) . . . . ?
C207 N11 C106 C110 -179.8(19) . . . . ?
C104 C105 C106 N11 -1(2) . . . . ?
C202 C105 C106 N11 179(6) . . . . ?
C104 C105 C106 C110 178.5(6) . . . . ?
C202 C105 C106 C110 -1(5) . . . . ?
S5 C105 C106 C110 0.0(15) . . . . ?
C104 C105 C106 C107 -1.4(18) . . . . ?
S5 C105 C106 C107 -179.9(19) . . . . ?
S6 C107 C106 C105 0(3) . . . . ?
S6 C107 C106 C110 -179.7(13) . . . . ?
C112 N12 C108 C109 -0.1(10) . . . . ?
Rh7 N12 C108 C109 -177.4(5) . . . . ?
N12 C108 C109 C110 -0.6(11) . . . . ?
C108 C109 C110 C111 1.5(10) . . . . ?
C108 C109 C110 C106 -179.7(6) . . . . ?
N11 C106 C110 C111 -5(3) . . . . ?
C105 C106 C110 C111 175.3(7) . . . . ?
C107 C106 C110 C111 -5(2) . . . . ?
N11 C106 C110 C109 176(2) . . . . ?
C105 C106 C110 C109 -3.4(11) . . . . ?
C107 C106 C110 C109 176.5(19) . . . . ?
C109 C110 C111 C112 -1.8(11) . . . . ?
C106 C110 C111 C112 179.4(7) . . . . ?
C108 N12 C112 C111 -0.3(12) . . . . ?
Rh7 N12 C112 C111 177.2(6) . . . . ?
C110 C111 C112 N12 1.3(13) . . . . ?
C117 N13 C113 C114 -0.6(18) . . . . ?
Rh6 N13 C113 C114 177.4(8) . . . . ?
N13 C113 C114 C115 -2.0(17) . . . . ?
C113 C114 C115 C116 2.3(15) . . . . ?
C113 C114 C115 C119 -175.9(9) . . . . ?
C114 C115 C116 C117 -0.2(17) . . . . ?
C119 C115 C116 C117 178.1(11) . . . . ?
C115 C116 C117 N13 -3(2) . . . . ?
C113 N13 C117 C116 3(2) . . . . ?
Rh6 N13 C117 C116 -175.0(11) . . . . ?
C121 S7 C118 C119 -1.6(7) . . . . ?
S7 C118 C119 C120 0.6(9) . . . . ?
S7 C118 C119 C115 -177.0(7) . . . . ?
C114 C115 C119 C118 156.7(10) . . . . ?
C116 C115 C119 C118 -21.5(14) . . . . ?
C114 C115 C119 C120 -20.7(13) . . . . ?
C116 C115 C119 C120 161.1(9) . . . . ?
C118 C119 C120 C121 1.0(10) . . . . ?
C115 C119 C120 C121 178.8(7) . . . . ?
C118 C119 C120 S8 174.3(7) . . . . ?
C115 C119 C120 S8 -7.9(14) . . . . ?
C123 S8 C120 C121 -0.5(7) . . . . ?
C123 S8 C120 C119 -173.7(10) . . . . ?
C119 C120 C121 C122 175.3(7) . . . . ?
S8 C120 C121 C122 0.3(9) . . . . ?
C119 C120 C121 S7 -2.1(9) . . . . ?
S8 C120 C121 S7 -177.2(4) . . . . ?
C118 S7 C121 C122 -174.5(9) . . . . ?
C118 S7 C121 C120 2.1(6) . . . . ?
C120 C121 C122 C123 0.2(10) . . . . ?
S7 C121 C122 C123 176.7(8) . . . . ?
C120 C121 C122 C126 178.1(8) . . . . ?
S7 C121 C122 C126 -5.3(14) . . . . ?
C121 C122 C123 S8 -0.6(10) . . . . ?
C126 C122 C123 S8 -178.5(7) . . . . ?
C120 S8 C123 C122 0.6(8) . . . . ?
C128 N16 C124 C125 -1.4(16) . . . . ?
Rh8 N16 C124 C125 170.5(9) . . . . ?
N16 C124 C125 C126 -1.3(17) . . . . ?
C124 C125 C126 C127 3.0(15) . . . . ?
C124 C125 C126 C122 -174.9(10) . . . . ?
C123 C122 C126 C125 167.9(10) . . . . ?
C121 C122 C126 C125 -9.8(15) . . . . ?
C123 C122 C126 C127 -10.0(14) . . . . ?
C121 C122 C126 C127 172.3(9) . . . . ?
C125 C126 C127 C128 -2.4(15) . . . . ?
C122 C126 C127 C128 175.6(9) . . . . ?
C124 N16 C128 C127 2.1(15) . . . . ?
Rh8 N16 C128 C127 -170.0(8) . . . . ?
C126 C127 C128 N16 -0.1(16) . . . . ?
C133 C129 C130 C135 179.2(11) . . . . ?
C134 C129 C130 C135 -3.0(16) . . . . ?
Rh5 C129 C130 C135 -120.2(12) . . . . ?
C133 C129 C130 C131 4.0(11) . . . . ?
C134 C129 C130 C131 -178.2(10) . . . . ?
Rh5 C129 C130 C131 64.6(8) . . . . ?
C133 C129 C130 Rh5 -60.6(6) . . . . ?
C134 C129 C130 Rh5 117.2(9) . . . . ?
C135 C130 C131 C132 -178.5(13) . . . . ?
C129 C130 C131 C132 -3.6(15) . . . . ?
Rh5 C130 C131 C132 60.1(11) . . . . ?
C135 C130 C131 C136 5(2) . . . . ?
C129 C130 C131 C136 -179.7(13) . . . . ?
Rh5 C130 C131 C136 -116.0(15) . . . . ?
C135 C130 C131 Rh5 121.4(14) . . . . ?
C129 C130 C131 Rh5 -63.7(7) . . . . ?
C130 C131 C132 C133 1.7(17) . . . . ?
C136 C131 C132 C133 177.6(14) . . . . ?
Rh5 C131 C132 C133 60.3(10) . . . . ?
C130 C131 C132 C137 179.2(13) . . . . ?
C136 C131 C132 C137 -5(3) . . . . ?
Rh5 C131 C132 C137 -122.1(15) . . . . ?
C130 C131 C132 Rh5 -58.6(9) . . . . ?
C136 C131 C132 Rh5 117.3(17) . . . . ?
C131 C132 C133 C129 0.9(15) . . . . ?
C137 C132 C133 C129 -176.7(13) . . . . ?
Rh5 C132 C133 C129 62.7(7) . . . . ?
C131 C132 C133 C138 178.5(12) . . . . ?
C137 C132 C133 C138 1(2) . . . . ?
Rh5 C132 C133 C138 -119.7(12) . . . . ?
C131 C132 C133 Rh5 -61.9(12) . . . . ?
C137 C132 C133 Rh5 120.6(15) . . . . ?
C130 C129 C133 C132 -2.9(11) . . . . ?
C134 C129 C133 C132 179.5(11) . . . . ?
Rh5 C129 C133 C132 -62.3(8) . . . . ?
C130 C129 C133 C138 179.5(10) . . . . ?
C134 C129 C133 C138 1.9(18) . . . . ?
Rh5 C129 C133 C138 120.1(11) . . . . ?
C130 C129 C133 Rh5 59.3(6) . . . . ?
C134 C129 C133 Rh5 -118.2(11) . . . . ?
C143 C139 C140 C141 3.8(18) . . . . ?
C144 C139 C140 C141 -179.8(15) . . . . ?
Rh6 C139 C140 C141 63.6(13) . . . . ?
C143 C139 C140 C145 -179.5(14) . . . . ?
C144 C139 C140 C145 -3(2) . . . . ?
Rh6 C139 C140 C145 -119.7(15) . . . . ?
C143 C139 C140 Rh6 -59.7(9) . . . . ?
C144 C139 C140 Rh6 116.6(14) . . . . ?
C139 C140 C141 C146 -173.3(18) . . . . ?
C145 C140 C141 C146 10(3) . . . . ?
Rh6 C140 C141 C146 -112(2) . . . . ?
C139 C140 C141 C142 -3.9(19) . . . . ?
C145 C140 C141 C142 179.3(14) . . . . ?
Rh6 C140 C141 C142 57.4(11) . . . . ?
C139 C140 C141 Rh6 -61.3(12) . . . . ?
C145 C140 C141 Rh6 121.9(16) . . . . ?
C140 C141 C142 C143 2.5(18) . . . . ?
C146 C141 C142 C143 172.2(17) . . . . ?
Rh6 C141 C142 C143 61.4(11) . . . . ?
C140 C141 C142 C147 179.3(16) . . . . ?
C146 C141 C142 C147 -11(3) . . . . ?
Rh6 C141 C142 C147 -121.8(17) . . . . ?
C140 C141 C142 Rh6 -58.9(11) . . . . ?
C146 C141 C142 Rh6 110.9(19) . . . . ?
C147 C142 C143 C148 0(3) . . . . ?
C141 C142 C143 C148 176.7(15) . . . . ?
Rh6 C142 C143 C148 -120.3(15) . . . . ?
C147 C142 C143 C139 -177.1(15) . . . . ?
C141 C142 C143 C139 -0.4(17) . . . . ?
Rh6 C142 C143 C139 62.5(10) . . . . ?
C147 C142 C143 Rh6 120.4(17) . . . . ?
C141 C142 C143 Rh6 -62.9(11) . . . . ?
C140 C139 C143 C142 -1.8(16) . . . . ?
C144 C139 C143 C142 -177.7(15) . . . . ?
Rh6 C139 C143 C142 -62.2(11) . . . . ?
C140 C139 C143 C148 -178.6(16) . . . . ?
C144 C139 C143 C148 5(3) . . . . ?
Rh6 C139 C143 C148 121.0(17) . . . . ?
C140 C139 C143 Rh6 60.4(9) . . . . ?
C144 C139 C143 Rh6 -115.5(16) . . . . ?
C153 C149 C150 C151 1.3(9) . . . . ?
C154 C149 C150 C151 179.8(9) . . . . ?
Rh7 C149 C150 C151 60.3(6) . . . . ?
C153 C149 C150 C155 -177.4(8) . . . . ?
C154 C149 C150 C155 1.2(14) . . . . ?
Rh7 C149 C150 C155 -118.4(9) . . . . ?
C153 C149 C150 Rh7 -59.0(6) . . . . ?
C154 C149 C150 Rh7 119.5(9) . . . . ?
C149 C150 C151 C152 1.3(10) . . . . ?
C155 C150 C151 C152 179.9(9) . . . . ?
Rh7 C150 C151 C152 63.2(6) . . . . ?
C149 C150 C151 C156 179.2(8) . . . . ?
C155 C150 C151 C156 -2.2(15) . . . . ?
Rh7 C150 C151 C156 -118.9(9) . . . . ?
C149 C150 C151 Rh7 -61.9(6) . . . . ?
C155 C150 C151 Rh7 116.7(9) . . . . ?
C150 C151 C152 C153 -3.4(10) . . . . ?
C156 C151 C152 C153 178.8(9) . . . . ?
Rh7 C151 C152 C153 59.0(6) . . . . ?
C150 C151 C152 C157 -179.7(9) . . . . ?
C156 C151 C152 C157 2.4(16) . . . . ?
Rh7 C151 C152 C157 -117.3(10) . . . . ?
C150 C151 C152 Rh7 -62.4(6) . . . . ?
C156 C151 C152 Rh7 119.7(9) . . . . ?
C151 C152 C153 C149 4.2(10) . . . . ?
C157 C152 C153 C149 -179.2(9) . . . . ?
Rh7 C152 C153 C149 63.0(6) . . . . ?
C151 C152 C153 C158 179.2(9) . . . . ?
C157 C152 C153 C158 -4.2(16) . . . . ?
Rh7 C152 C153 C158 -122.0(10) . . . . ?
C151 C152 C153 Rh7 -58.8(6) . . . . ?
C157 C152 C153 Rh7 117.8(9) . . . . ?
C150 C149 C153 C152 -3.3(9) . . . . ?
C154 C149 C153 C152 178.2(9) . . . . ?
Rh7 C149 C153 C152 -62.5(6) . . . . ?
C150 C149 C153 C158 -178.7(8) . . . . ?
C154 C149 C153 C158 2.8(15) . . . . ?
Rh7 C149 C153 C158 122.1(9) . . . . ?
C150 C149 C153 Rh7 59.2(6) . . . . ?
C154 C149 C153 Rh7 -119.2(10) . . . . ?
C163 C159 C160 C161 0.0 . . . . ?
C164 C159 C160 C161 -180.0 . . . . ?
Rh8 C159 C160 C161 62.7(3) . . . . ?
C163 C159 C160 C165 180.0 . . . . ?
C164 C159 C160 C165 0.0 . . . . ?
Rh8 C159 C160 C165 -117.3(3) . . . . ?
C163 C159 C160 Rh8 -62.7(3) . . . . ?
C164 C159 C160 Rh8 117.3(3) . . . . ?
C159 C160 C161 C162 0.0 . . . . ?
C165 C160 C161 C162 180.0 . . . . ?
Rh8 C160 C161 C162 55.7(3) . . . . ?
C159 C160 C161 C166 -180.0 . . . . ?
C165 C160 C161 C166 0.0 . . . . ?
Rh8 C160 C161 C166 -124.3(3) . . . . ?
C159 C160 C161 Rh8 -55.7(3) . . . . ?
C165 C160 C161 Rh8 124.3(3) . . . . ?
C160 C161 C162 C163 0.0 . . . . ?
C166 C161 C162 C163 180.0 . . . . ?
Rh8 C161 C162 C163 55.9(3) . . . . ?
C160 C161 C162 C167 -180.0 . . . . ?
C166 C161 C162 C167 0.0 . . . . ?
Rh8 C161 C162 C167 -124.1(3) . . . . ?
C160 C161 C162 Rh8 -55.9(3) . . . . ?
C166 C161 C162 Rh8 124.1(3) . . . . ?
C161 C162 C163 C159 0.0 . . . . ?
C167 C162 C163 C159 180.0 . . . . ?
Rh8 C162 C163 C159 63.1(3) . . . . ?
C161 C162 C163 C168 180.0 . . . . ?
C167 C162 C163 C168 0.0 . . . . ?
Rh8 C162 C163 C168 -117.0(2) . . . . ?
C161 C162 C163 Rh8 -63.1(2) . . . . ?
C167 C162 C163 Rh8 116.9(2) . . . . ?
C160 C159 C163 C162 0.0 . . . . ?
C164 C159 C163 C162 180.0 . . . . ?
Rh8 C159 C163 C162 -67.8(4) . . . . ?
C160 C159 C163 C168 -180.0 . . . . ?
C164 C159 C163 C168 0.0 . . . . ?
Rh8 C159 C163 C168 112.2(4) . . . . ?
C160 C159 C163 Rh8 67.8(4) . . . . ?
C164 C159 C163 Rh8 -112.2(4) . . . . ?
C263 C259 C260 C261 0.0 . . . . ?
C264 C259 C260 C261 -180.0 . . . . ?
Rh8 C259 C260 C261 61.3(2) . . . . ?
C263 C259 C260 C265 180.0 . . . . ?
C264 C259 C260 C265 0.0 . . . . ?
Rh8 C259 C260 C265 -118.7(2) . . . . ?
C263 C259 C260 Rh8 -61.3(2) . . . . ?
C264 C259 C260 Rh8 118.7(2) . . . . ?
C259 C260 C261 C262 0.0 . . . . ?
C265 C260 C261 C262 -180.0 . . . . ?
Rh8 C260 C261 C262 64.5(4) . . . . ?
C259 C260 C261 C266 180.0 . . . . ?
C265 C260 C261 C266 0.0 . . . . ?
Rh8 C260 C261 C266 -115.5(4) . . . . ?
C259 C260 C261 Rh8 -64.5(4) . . . . ?
C265 C260 C261 Rh8 115.5(4) . . . . ?
C260 C261 C262 C263 0.0 . . . . ?
C266 C261 C262 C263 180.0 . . . . ?
Rh8 C261 C262 C263 63.3(3) . . . . ?
C260 C261 C262 C267 180.0 . . . . ?
C266 C261 C262 C267 0.0 . . . . ?
Rh8 C261 C262 C267 -116.7(3) . . . . ?
C260 C261 C262 Rh8 -63.3(3) . . . . ?
C266 C261 C262 Rh8 116.7(3) . . . . ?
C261 C262 C263 C259 0.0 . . . . ?
C267 C262 C263 C259 180.0 . . . . ?
Rh8 C262 C263 C259 59.4(3) . . . . ?
C261 C262 C263 C268 180.0 . . . . ?
C267 C262 C263 C268 0.0 . . . . ?
Rh8 C262 C263 C268 -120.6(3) . . . . ?
C261 C262 C263 Rh8 -59.4(3) . . . . ?
C267 C262 C263 Rh8 120.6(3) . . . . ?
C260 C259 C263 C262 0.0 . . . . ?
C264 C259 C263 C262 180.0 . . . . ?
Rh8 C259 C263 C262 -58.3(3) . . . . ?
C260 C259 C263 C268 -180.0 . . . . ?
C264 C259 C263 C268 0.0 . . . . ?
Rh8 C259 C263 C268 121.7(3) . . . . ?
C260 C259 C263 Rh8 58.3(3) . . . . ?
C264 C259 C263 Rh8 -121.7(3) . . . . ?
O21 S9 C169 F3 60.4(18) . . . . ?
O22 S9 C169 F3 176.3(17) . . . . ?
O23 S9 C169 F3 -59.3(19) . . . . ?
O21 S9 C169 F1 174.5(16) . . . . ?
O22 S9 C169 F1 -69.6(19) . . . . ?
O23 S9 C169 F1 55(2) . . . . ?
O21 S9 C169 F2 -57.5(18) . . . . ?
O22 S9 C169 F2 58.4(18) . . . . ?
O23 S9 C169 F2 -177.2(19) . . . . ?
O24 S10 C170 F6 176(2) . . . . ?
O25 S10 C170 F6 -53(2) . . . . ?
O26 S10 C170 F6 67.3(18) . . . . ?
O24 S10 C170 F4 -70(3) . . . . ?
O25 S10 C170 F4 61.4(17) . . . . ?
O26 S10 C170 F4 -178.4(15) . . . . ?
O24 S10 C170 F5 47(3) . . . . ?
O25 S10 C170 F5 178.3(17) . . . . ?
O26 S10 C170 F5 -61(2) . . . . ?
O29 S11 C171 F8 58(2) . . . . ?
O28 S11 C171 F8 -68(2) . . . . ?
O27 S11 C171 F8 173(2) . . . . ?
O29 S11 C171 F7 -62(2) . . . . ?
O28 S11 C171 F7 172.6(19) . . . . ?
O27 S11 C171 F7 54(2) . . . . ?
O29 S11 C171 F9 -177.8(17) . . . . ?
O28 S11 C171 F9 57(2) . . . . ?
O27 S11 C171 F9 -62(2) . . . . ?
O29' S11' C271 F9' -99(3) . . . . ?
O27' S11' C271 F9' 136(3) . . . . ?
O28' S11' C271 F9' 20(3) . . . . ?
O29' S11' C271 F8' 22(3) . . . . ?
O27' S11' C271 F8' -103(3) . . . . ?
O28' S11' C271 F8' 141(3) . . . . ?
O29' S11' C271 F7' 139(3) . . . . ?
O27' S11' C271 F7' 14(3) . . . . ?
O28' S11' C271 F7' -102(3) . . . . ?
F11 C172 S12 O31 -159(2) . . . . ?
F12 C172 S12 O31 -35(2) . . . . ?
F10 C172 S12 O31 76(2) . . . . ?
F11 C172 S12 O30 58(2) . . . . ?
F12 C172 S12 O30 -178.5(19) . . . . ?
F10 C172 S12 O30 -68(2) . . . . ?
F11 C172 S12 O32 -49(2) . . . . ?
F12 C172 S12 O32 75(2) . . . . ?
F10 C172 S12 O32 -174(2) . . . . ?
