#------------------------------------------------------------------------------
#$Date: 2021-01-01 02:13:35 +0200 (Fri, 01 Jan 2021) $
#$Revision: 260313 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/54/4135466.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_4135466
loop_
_publ_author_name
'Zhang, Hai-Ning'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 Selective Construction of Very Large Stacking-Interaction-Induced
 Molecular 818 Metalla-knots and Borromean Ring Using Curved Dipyridyl
 Ligands
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.0c11925
_journal_year                    2020
_chemical_formula_sum            'C150 H167 F12 N5 O26 Rh4 S4'
_chemical_formula_weight         3223.76
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                92.145(2)
_cell_angle_beta                 104.593(2)
_cell_angle_gamma                110.192(2)
_cell_formula_units_Z            1
_cell_length_a                   15.8656(7)
_cell_length_b                   18.5301(8)
_cell_length_c                   27.9838(12)
_cell_measurement_reflns_used    9984
_cell_measurement_temperature    140(2)
_cell_measurement_theta_max      54.87
_cell_measurement_theta_min      3.87
_cell_volume                     7401.9(6)
_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-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      140(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.992
_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  0.0504
_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            85932
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.952
_diffrn_reflns_theta_min         2.927
_exptl_absorpt_coefficient_mu    3.216
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_correction_T_min  0.312
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            bronze
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_description       block
_exptl_crystal_F_000             3324
_exptl_crystal_size_max          0.560
_exptl_crystal_size_mid          0.450
_exptl_crystal_size_min          0.320
_refine_diff_density_max         2.278
_refine_diff_density_min         -1.131
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1761
_refine_ls_number_reflns         27993
_refine_ls_number_restraints     227
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0655
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0838P)²+14.7889P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1595
_refine_ls_wR_factor_ref         0.1664
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23794
_reflns_number_total             27993
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c11925_si_004.cif
_cod_data_source_block           4
_cod_database_code               4135466
_shelx_shelxl_version_number     2016/6
_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   0.266
_shelx_estimated_absorpt_t_max   0.426
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.37953(2) 0.49884(2) 0.71560(2) 0.03939(9) Uani 1 1 d . . . . .
Rh2 Rh 0.86004(2) 0.90403(2) 0.77990(2) 0.03782(9) Uani 1 1 d . . . . .
Rh3 Rh 0.09795(2) 0.63063(2) 0.16700(2) 0.04757(10) Uani 1 1 d . . . . .
Rh4 Rh 0.63523(2) 0.97206(2) 0.29379(2) 0.04321(9) Uani 1 1 d . . . . .
N1 N 0.3676(3) 0.5615(2) 0.77779(13) 0.0441(8) Uani 1 1 d . . . . .
N2 N 0.1908(2) 1.0302(2) 1.17856(12) 0.0390(7) Uani 1 1 d . . . . .
N3 N 0.1350(3) 0.5594(2) 0.22049(13) 0.0486(9) Uani 1 1 d . . . . .
N4 N 0.3510(3) 0.0910(2) 0.64468(13) 0.0472(9) Uani 1 1 d . . . . .
O1 O 0.5171(2) 0.53476(16) 0.75753(11) 0.0423(6) Uani 1 1 d . . . . .
O2 O 0.4177(2) 0.60346(16) 0.68871(10) 0.0423(6) Uani 1 1 d . . . . .
O3 O 0.7275(2) 0.86664(16) 0.73095(10) 0.0406(6) Uani 1 1 d . . . . .
O4 O 0.8030(2) 0.81389(16) 0.81663(11) 0.0435(6) Uani 1 1 d . . . . .
O5 O 0.1613(2) 0.71839(18) 0.22584(11) 0.0473(7) Uani 1 1 d . . . . .
O6 O 0.2314(2) 0.65360(18) 0.16098(11) 0.0481(7) Uani 1 1 d . . . . .
O7 O 0.5791(2) 0.86571(17) 0.24944(11) 0.0439(7) Uani 1 1 d . . . . .
O8 O 0.5018(2) 0.94700(17) 0.29947(11) 0.0458(7) Uani 1 1 d . . . . .
O9 O 0.7764(3) 0.2645(2) 0.28307(18) 0.0800(12) Uani 1 1 d . . . . .
O10 O 0.7988(4) 0.2168(3) 0.2089(2) 0.0990(15) Uani 1 1 d . . . . .
O11 O 0.8941(3) 0.2084(3) 0.2885(3) 0.141(3) Uani 1 1 d . U . . .
O12 O 0.0388(4) 0.2317(3) 0.6838(2) 0.1001(16) Uani 1 1 d . . . . .
O13 O 0.0325(5) 0.1073(3) 0.6524(2) 0.127(2) Uani 1 1 d . . . . .
O14 O 0.1771(4) 0.2196(3) 0.6706(2) 0.0993(15) Uani 1 1 d . . . . .
S1 S 0.84016(9) 0.24567(8) 0.26052(6) 0.0637(3) Uani 1 1 d . . . . .
S2 S 0.07712(13) 0.18943(9) 0.65776(6) 0.0800(5) Uani 1 1 d . . . . .
F1 F 0.9908(3) 0.3386(2) 0.2412(2) 0.1153(16) Uani 1 1 d . U . . .
F2 F 0.8861(3) 0.3873(3) 0.2407(3) 0.134(2) Uani 1 1 d . U . . .
F3 F 0.9702(4) 0.3757(4) 0.3055(3) 0.166(3) Uani 1 1 d . U . . .
F4 F 0.0731(3) 0.1709(3) 0.56360(17) 0.1226(18) Uani 1 1 d . . . . .
F5 F -0.0465(4) 0.1866(4) 0.5748(2) 0.146(2) Uani 1 1 d . . . . .
F6 F 0.0835(5) 0.2839(3) 0.5906(2) 0.150(2) Uani 1 1 d . . . . .
C1 C 0.5781(3) 0.6041(2) 0.76857(15) 0.0394(9) Uani 1 1 d . . . . .
C2 C 0.5752(3) 0.6679(2) 0.74202(14) 0.0372(8) Uani 1 1 d . . . . .
C3 C 0.4966(3) 0.6607(2) 0.70173(15) 0.0382(9) Uani 1 1 d . . . . .
C4 C 0.5014(3) 0.7234(2) 0.67058(15) 0.0401(9) Uani 1 1 d . . . . .
C5 C 0.4247(3) 0.7147(3) 0.62903(17) 0.0490(10) Uani 1 1 d . . . . .
H5 H 0.369398 0.669431 0.621809 0.059 Uiso 1 1 calc R U . . .
C6 C 0.4311(4) 0.7730(3) 0.59891(19) 0.0576(12) Uani 1 1 d . . . . .
H6 H 0.379897 0.767313 0.570776 0.069 Uiso 1 1 calc R U . . .
C7 C 0.5108(4) 0.8392(3) 0.60923(18) 0.0565(12) Uani 1 1 d . . . . .
H7 H 0.514466 0.878603 0.588179 0.068 Uiso 1 1 calc R U . . .
C8 C 0.5840(3) 0.8479(3) 0.64970(17) 0.0483(10) Uani 1 1 d . . . . .
H8 H 0.638481 0.893813 0.656754 0.058 Uiso 1 1 calc R U . . .
C9 C 0.5807(3) 0.7905(2) 0.68116(15) 0.0405(9) Uani 1 1 d . . . . .
C10 C 0.6602(3) 0.8019(2) 0.72469(15) 0.0365(8) Uani 1 1 d . . . . .
C11 C 0.6572(3) 0.7416(2) 0.75550(14) 0.0357(8) Uani 1 1 d . . . . .
C12 C 0.7318(3) 0.7519(2) 0.79850(15) 0.0379(8) Uani 1 1 d . . . . .
C13 C 0.7307(3) 0.6874(3) 0.82747(16) 0.0450(10) Uani 1 1 d . . . . .
C14 C 0.8044(4) 0.6979(3) 0.87065(19) 0.0602(13) Uani 1 1 d . . . . .
H14 H 0.854720 0.746660 0.880856 0.072 Uiso 1 1 calc R U . . .
C15 C 0.8036(4) 0.6375(3) 0.8983(2) 0.0692(16) Uani 1 1 d . . . . .
H15 H 0.853401 0.644723 0.927483 0.083 Uiso 1 1 calc R U . . .
C16 C 0.7300(4) 0.5660(3) 0.8834(2) 0.0661(15) Uani 1 1 d . . . . .
H16 H 0.729832 0.524753 0.902568 0.079 Uiso 1 1 calc R U . . .
C17 C 0.6571(4) 0.5543(3) 0.84103(18) 0.0520(11) Uani 1 1 d . . . . .
H17 H 0.607249 0.505297 0.831229 0.062 Uiso 1 1 calc R U . . .
C18 C 0.6567(3) 0.6154(2) 0.81223(15) 0.0405(9) Uani 1 1 d . . . . .
C19 C 0.3372(3) 0.6209(3) 0.77331(16) 0.0420(9) Uani 1 1 d . . . . .
H19 H 0.316141 0.633591 0.740997 0.050 Uiso 1 1 calc R U . . .
C20 C 0.3357(3) 0.6640(3) 0.81399(15) 0.0438(9) Uani 1 1 d . . . . .
H20 H 0.314245 0.705813 0.809348 0.053 Uiso 1 1 calc R U . . .
C21 C 0.3656(3) 0.6467(2) 0.86214(15) 0.0411(9) Uani 1 1 d . . . . .
C22 C 0.3952(3) 0.5838(3) 0.86611(16) 0.0479(10) Uani 1 1 d . . . . .
H22A H 0.414673 0.568586 0.897827 0.057 Uiso 1 1 calc R U . . .
C23 C 0.3962(4) 0.5440(3) 0.82395(16) 0.0487(10) Uani 1 1 d . . . . .
H23 H 0.417964 0.502210 0.827490 0.058 Uiso 1 1 calc R U . . .
C24 C 0.3661(3) 0.6919(2) 0.90663(15) 0.0393(9) Uani 1 1 d . . . . .
C25 C 0.3006(3) 0.7277(2) 0.90438(14) 0.0377(8) Uani 1 1 d . . . . .
H25 H 0.256115 0.724331 0.873628 0.045 Uiso 1 1 calc R U . . .
C26 C 0.3013(3) 0.7680(2) 0.94707(14) 0.0360(8) Uani 1 1 d . . . . .
C27 C 0.2362(3) 0.8093(2) 0.95381(14) 0.0363(8) Uani 1 1 d . . . . .
C28 C 0.2729(3) 0.8370(2) 1.00950(14) 0.0346(8) Uani 1 1 d . . . . .
C29 C 0.2414(3) 0.8782(2) 1.03844(14) 0.0356(8) Uani 1 1 d . . . . .
H29 H 0.189232 0.892032 1.023671 0.043 Uiso 1 1 calc R U . . .
C30 C 0.2863(3) 0.8995(2) 1.08946(14) 0.0357(8) Uani 1 1 d . . . . .
C31 C 0.3629(3) 0.8786(2) 1.11049(14) 0.0387(9) Uani 1 1 d . . . . .
H31 H 0.392785 0.892289 1.145275 0.046 Uiso 1 1 calc R U . . .
C32 C 0.3963(3) 0.8386(2) 1.08194(15) 0.0402(9) Uani 1 1 d . . . . .
H32 H 0.449412 0.825985 1.096570 0.048 Uiso 1 1 calc R U . . .
C33 C 0.3503(3) 0.8173(2) 1.03113(14) 0.0358(8) Uani 1 1 d . . . . .
C34 C 0.3676(3) 0.7741(2) 0.99245(14) 0.0378(8) Uani 1 1 d . . . . .
C35 C 0.4344(3) 0.7403(3) 0.99513(15) 0.0443(10) Uani 1 1 d . . . . .
H35 H 0.480168 0.745299 1.025685 0.053 Uiso 1 1 calc R U . . .
C36 C 0.4324(3) 0.6993(3) 0.95225(16) 0.0436(9) Uani 1 1 d . . . . .
H36 H 0.477144 0.675557 0.953760 0.052 Uiso 1 1 calc R U . . .
C37 C 0.1788(3) 1.0349(2) 1.12954(15) 0.0419(9) Uani 1 1 d . . . . .
H37 H 0.147988 1.067623 1.114619 0.050 Uiso 1 1 calc R U . . .
C38 C 0.2096(3) 0.9941(3) 1.10031(15) 0.0443(10) Uani 1 1 d . . . . .
H38 H 0.200023 0.999214 1.065897 0.053 Uiso 1 1 calc R U . . .
C39 C 0.2548(3) 0.9454(2) 1.12083(14) 0.0347(8) Uani 1 1 d . . . . .
C40 C 0.2678(3) 0.9418(2) 1.17192(15) 0.0417(9) Uani 1 1 d . . . . .
H40 H 0.298746 0.909835 1.187907 0.050 Uiso 1 1 calc R U . . .
C41 C 0.2355(3) 0.9849(2) 1.19909(15) 0.0431(9) Uani 1 1 d . . . . .
H41 H 0.245613 0.982194 1.233796 0.052 Uiso 1 1 calc R U . . .
C42 C 0.2472(3) 0.8782(3) 0.92353(15) 0.0428(9) Uani 1 1 d . . . . .
H42A H 0.312735 0.913676 0.933524 0.064 Uiso 1 1 calc R U . . .
H42B H 0.207568 0.905798 0.929900 0.064 Uiso 1 1 calc R U . . .
H42C H 0.228202 0.858773 0.887914 0.064 Uiso 1 1 calc R U . . .
C43 C 0.1334(3) 0.7532(3) 0.93827(16) 0.0446(9) Uani 1 1 d . . . . .
H43A H 0.113831 0.734903 0.902453 0.067 Uiso 1 1 calc R U . . .
H43B H 0.093783 0.780070 0.945598 0.067 Uiso 1 1 calc R U . . .
H43C H 0.127216 0.708693 0.956841 0.067 Uiso 1 1 calc R U . . .
C44 C 0.2375(3) 0.4193(3) 0.69054(17) 0.0525(11) Uani 1 1 d . . . . .
C45 C 0.2724(3) 0.4393(3) 0.64849(16) 0.0489(11) Uani 1 1 d . . . . .
C46 C 0.3511(4) 0.4158(3) 0.65327(17) 0.0518(11) Uani 1 1 d . . . . .
C47 C 0.3621(4) 0.3798(2) 0.69841(18) 0.0512(11) Uani 1 1 d . . . . .
C48 C 0.2940(4) 0.3833(3) 0.72112(17) 0.0525(11) Uani 1 1 d . . . . .
C49 C 0.1555(4) 0.4336(4) 0.6999(2) 0.0696(15) Uani 1 1 d . . . . .
H49A H 0.100227 0.385390 0.689948 0.104 Uiso 1 1 calc R U . . .
H49B H 0.143243 0.473619 0.680518 0.104 Uiso 1 1 calc R U . . .
H49C H 0.169122 0.450962 0.735498 0.104 Uiso 1 1 calc R U . . .
C50 C 0.2357(4) 0.4802(3) 0.60807(19) 0.0612(13) Uani 1 1 d . . . . .
H50A H 0.180688 0.442640 0.583523 0.092 Uiso 1 1 calc R U . . .
H50B H 0.284263 0.504698 0.591726 0.092 Uiso 1 1 calc R U . . .
H50C H 0.218104 0.519966 0.622426 0.092 Uiso 1 1 calc R U . . .
C51 C 0.4079(5) 0.4236(3) 0.6168(2) 0.0661(14) Uani 1 1 d . . . . .
H51A H 0.381131 0.376366 0.592573 0.099 Uiso 1 1 calc R U . . .
H51B H 0.472610 0.431148 0.634773 0.099 Uiso 1 1 calc R U . . .
H51C H 0.407163 0.468331 0.599370 0.099 Uiso 1 1 calc R U . . .
C52 C 0.4377(5) 0.3490(3) 0.7186(2) 0.0697(15) Uani 1 1 d . . . . .
H52A H 0.461733 0.363902 0.754796 0.105 Uiso 1 1 calc R U . . .
H52B H 0.488648 0.370744 0.703304 0.105 Uiso 1 1 calc R U . . .
H52C H 0.412227 0.292333 0.710833 0.105 Uiso 1 1 calc R U . . .
C53 C 0.2784(4) 0.3504(3) 0.7679(2) 0.0649(14) Uani 1 1 d . . . . .
H53A H 0.228792 0.298752 0.759073 0.097 Uiso 1 1 calc R U . . .
H53B H 0.259758 0.384632 0.787084 0.097 Uiso 1 1 calc R U . . .
H53C H 0.336402 0.346374 0.788113 0.097 Uiso 1 1 calc R U . . .
C54 C 0.9379(3) 0.8652(3) 0.74072(17) 0.0461(10) Uani 1 1 d . . . . .
C55 C 0.9304(3) 0.9354(3) 0.72350(17) 0.0479(10) Uani 1 1 d . . . . .
C56 C 0.9740(3) 0.9959(3) 0.76583(19) 0.0520(11) Uani 1 1 d . . . . .
C57 C 1.0080(3) 0.9615(3) 0.80855(18) 0.0539(12) Uani 1 1 d . . . . .
C58 C 0.9878(3) 0.8823(3) 0.79255(17) 0.0481(10) Uani 1 1 d . . . . .
C59 C 0.8999(4) 0.7866(3) 0.70972(19) 0.0567(12) Uani 1 1 d . . . . .
H59A H 0.947132 0.781031 0.694651 0.085 Uiso 1 1 calc R U . . .
H59B H 0.843418 0.781744 0.683377 0.085 Uiso 1 1 calc R U . . .
H59C H 0.884316 0.745998 0.730974 0.085 Uiso 1 1 calc R U . . .
C60 C 0.8839(4) 0.9434(3) 0.67188(18) 0.0579(12) Uani 1 1 d . . . . .
H60A H 0.866532 0.989270 0.672448 0.087 Uiso 1 1 calc R U . . .
H60B H 0.827538 0.897050 0.657780 0.087 Uiso 1 1 calc R U . . .
H60C H 0.927008 0.949286 0.651361 0.087 Uiso 1 1 calc R U . . .
C61 C 0.9852(4) 1.0794(3) 0.7660(2) 0.0714(16) Uani 1 1 d . . . . .
H61A H 1.046293 1.109274 0.761392 0.107 Uiso 1 1 calc R U . . .
H61B H 0.981039 1.099481 0.797836 0.107 Uiso 1 1 calc R U . . .
H61C H 0.935479 1.084136 0.738711 0.107 Uiso 1 1 calc R U . . .
C62 C 1.0616(4) 1.0054(4) 0.8597(2) 0.0724(17) Uani 1 1 d . . . . .
H62A H 1.040030 0.974035 0.884782 0.109 Uiso 1 1 calc R U . . .
H62B H 1.051191 1.054262 0.862808 0.109 Uiso 1 1 calc R U . . .
H62C H 1.128534 1.016425 0.864941 0.109 Uiso 1 1 calc R U . . .
C63 C 1.0097(4) 0.8253(4) 0.8248(2) 0.0637(14) Uani 1 1 d . . . . .
H63A H 1.066610 0.818984 0.820957 0.096 Uiso 1 1 calc R U . . .
H63B H 0.957431 0.775194 0.815016 0.096 Uiso 1 1 calc R U . . .
H63C H 1.019614 0.844219 0.859713 0.096 Uiso 1 1 calc R U . . .
C64 C 0.2450(3) 0.7667(2) 0.24072(15) 0.0380(9) Uani 1 1 d . . . . .
C65 C 0.3219(3) 0.7661(2) 0.22327(14) 0.0354(8) Uani 1 1 d . . . . .
C66 C 0.3081(3) 0.7078(2) 0.18427(14) 0.0377(8) Uani 1 1 d . . . . .
C67 C 0.3892(3) 0.7070(2) 0.16783(15) 0.0381(8) Uani 1 1 d . . . . .
C68 C 0.3761(4) 0.6503(3) 0.12896(18) 0.0499(10) Uani 1 1 d . . . . .
H68 H 0.315321 0.612952 0.113482 0.060 Uiso 1 1 calc R U . . .
C69 C 0.4512(4) 0.6490(3) 0.11330(19) 0.0542(11) Uani 1 1 d . . . . .
H69 H 0.442181 0.610558 0.087132 0.065 Uiso 1 1 calc R U . . .
C70 C 0.5403(4) 0.7037(3) 0.13558(18) 0.0518(11) Uani 1 1 d . . . . .
H70 H 0.591907 0.702289 0.124753 0.062 Uiso 1 1 calc R U . . .
C71 C 0.5537(3) 0.7595(3) 0.17295(16) 0.0450(10) Uani 1 1 d . . . . .
H71 H 0.614581 0.797219 0.187643 0.054 Uiso 1 1 calc R U . . .
C72 C 0.4780(3) 0.7615(2) 0.18995(15) 0.0379(9) Uani 1 1 d . . . . .
C73 C 0.4941(3) 0.8220(2) 0.23045(14) 0.0357(8) Uani 1 1 d . . . . .
C74 C 0.4155(3) 0.8260(2) 0.24533(14) 0.0348(8) Uani 1 1 d . . . . .
C75 C 0.4269(3) 0.8875(2) 0.28097(15) 0.0374(8) Uani 1 1 d . . . . .
C76 C 0.3478(3) 0.8868(2) 0.29907(16) 0.0412(9) Uani 1 1 d . . . . .
C77 C 0.3609(4) 0.9442(3) 0.3371(2) 0.0560(12) Uani 1 1 d . . . . .
H77 H 0.420149 0.985073 0.349823 0.067 Uiso 1 1 calc R U . . .
C78 C 0.2875(5) 0.9414(3) 0.3562(2) 0.0690(15) Uani 1 1 d . . . . .
H78 H 0.297187 0.979617 0.382737 0.083 Uiso 1 1 calc R U . . .
C79 C 0.2003(4) 0.8835(3) 0.3371(2) 0.0632(14) Uani 1 1 d . . . . .
H79 H 0.149943 0.882358 0.349960 0.076 Uiso 1 1 calc R U . . .
C80 C 0.1866(4) 0.8274(3) 0.29922(19) 0.0525(11) Uani 1 1 d . . . . .
H80 H 0.126493 0.787802 0.286095 0.063 Uiso 1 1 calc R U . . .
C81 C 0.2599(3) 0.8278(2) 0.27975(16) 0.0408(9) Uani 1 1 d . . . . .
C82 C 0.1740(4) 0.5104(3) 0.21022(17) 0.0562(12) Uani 1 1 d . . . . .
H82 H 0.180114 0.504230 0.177563 0.067 Uiso 1 1 calc R U . . .
C83 C 0.2056(4) 0.4684(3) 0.24419(18) 0.0570(12) Uani 1 1 d . . . . .
H83 H 0.234882 0.435306 0.235088 0.068 Uiso 1 1 calc R U . . .
C84 C 0.1958(3) 0.4733(3) 0.29229(16) 0.0472(10) Uani 1 1 d . . . . .
C85 C 0.1528(3) 0.5235(3) 0.30229(16) 0.0490(10) Uani 1 1 d . . . . .
H85 H 0.143894 0.529543 0.334317 0.059 Uiso 1 1 calc R U . . .
C86 C 0.1230(3) 0.5642(3) 0.26638(17) 0.0504(11) Uani 1 1 d . . . . .
H86 H 0.092610 0.597344 0.274067 0.061 Uiso 1 1 calc R U . . .
C87 C 0.2325(3) 0.4297(3) 0.33013(16) 0.0463(10) Uani 1 1 d . . . . .
C88 C 0.1862(3) 0.4008(3) 0.36626(15) 0.0455(10) Uani 1 1 d . . . . .
H88 H 0.131403 0.410261 0.367135 0.055 Uiso 1 1 calc R U . . .
C89 C 0.2206(3) 0.3589(2) 0.40010(15) 0.0430(9) Uani 1 1 d . . . . .
C90 C 0.1812(3) 0.3209(3) 0.44144(15) 0.0457(10) Uani 1 1 d . . . . .
C91 C 0.2542(3) 0.2873(3) 0.46532(15) 0.0449(10) Uani 1 1 d . . . . .
C92 C 0.2590(3) 0.2466(3) 0.50582(16) 0.0481(10) Uani 1 1 d . . . . .
H92 H 0.212948 0.237752 0.523307 0.058 Uiso 1 1 calc R U . . .
C93 C 0.3311(4) 0.2188(3) 0.52085(17) 0.0506(11) Uani 1 1 d . . . . .
C94 C 0.3988(4) 0.2330(3) 0.4950(2) 0.0594(12) Uani 1 1 d . . . . .
H94 H 0.447468 0.213215 0.504913 0.071 Uiso 1 1 calc R U . . .
C95 C 0.3963(4) 0.2755(3) 0.4549(2) 0.0603(13) Uani 1 1 d . . . . .
H95 H 0.443740 0.286267 0.438274 0.072 Uiso 1 1 calc R U . . .
C96 C 0.3227(3) 0.3016(3) 0.44000(17) 0.0490(10) Uani 1 1 d . . . . .
C97 C 0.3023(3) 0.3467(3) 0.39988(16) 0.0474(10) Uani 1 1 d . . . . .
C98 C 0.3501(4) 0.3759(3) 0.36523(18) 0.0531(11) Uani 1 1 d . . . . .
H98 H 0.406194 0.367993 0.365327 0.064 Uiso 1 1 calc R U . . .
C99 C 0.3141(4) 0.4168(3) 0.33069(18) 0.0557(12) Uani 1 1 d . . . . .
H99 H 0.345893 0.436572 0.306661 0.067 Uiso 1 1 calc R U . . .
C100 C 0.3105(3) 0.1441(3) 0.64256(17) 0.0484(10) Uani 1 1 d . . . . .
H100 H 0.286471 0.152922 0.669149 0.058 Uiso 1 1 calc R U . . .
C101 C 0.3026(3) 0.1863(3) 0.60320(17) 0.0504(11) Uani 1 1 d . . . . .
H101 H 0.273102 0.223059 0.603008 0.061 Uiso 1 1 calc R U . . .
C102 C 0.3375(3) 0.1753(3) 0.56385(17) 0.0513(11) Uani 1 1 d . . . . .
C103 C 0.3785(4) 0.1192(3) 0.56612(18) 0.0564(12) Uani 1 1 d . . . . .
H103 H 0.402274 0.108735 0.539783 0.068 Uiso 1 1 calc R U . . .
C104 C 0.3845(4) 0.0790(3) 0.60677(17) 0.0554(12) Uani 1 1 d . . . . .
H104 H 0.413251 0.041570 0.607914 0.066 Uiso 1 1 calc R U . . .
C105 C 0.1757(4) 0.3806(3) 0.47833(18) 0.0594(13) Uani 1 1 d . . . . .
H10A H 0.237567 0.421525 0.491789 0.089 Uiso 1 1 calc R U . . .
H10B H 0.154885 0.355162 0.505629 0.089 Uiso 1 1 calc R U . . .
H10C H 0.130948 0.403363 0.461292 0.089 Uiso 1 1 calc R U . . .
C106 C 0.0844(4) 0.2556(3) 0.42005(18) 0.0564(12) Uani 1 1 d . . . . .
H10D H 0.040722 0.276841 0.399964 0.085 Uiso 1 1 calc R U . . .
H10E H 0.060820 0.233416 0.447483 0.085 Uiso 1 1 calc R U . . .
H10F H 0.090210 0.214957 0.399101 0.085 Uiso 1 1 calc R U . . .
C107 C 0.0381(3) 0.6350(3) 0.09049(17) 0.0568(12) Uani 1 1 d . . . . .
C108 C -0.0001(4) 0.5567(3) 0.10221(19) 0.0686(16) Uani 1 1 d . . . . .
C109 C -0.0486(3) 0.5669(4) 0.1399(2) 0.0714(18) Uani 1 1 d . . . . .
C110 C -0.0360(4) 0.6429(4) 0.1498(2) 0.0703(15) Uani 1 1 d . . . . .
C111 C 0.0158(4) 0.6861(4) 0.1202(2) 0.0664(14) Uani 1 1 d . . . . .
C112 C 0.0933(5) 0.6585(4) 0.0534(2) 0.0790(18) Uani 1 1 d . U . . .
H11A H 0.051385 0.660136 0.021420 0.118 Uiso 1 1 calc R U . . .
H11B H 0.122202 0.620746 0.048963 0.118 Uiso 1 1 calc R U . . .
H11C H 0.142158 0.709996 0.065731 0.118 Uiso 1 1 calc R U . . .
C113 C 0.0071(6) 0.4883(4) 0.0784(3) 0.103(3) Uani 1 1 d . U . . .
H11D H -0.038616 0.471346 0.045432 0.155 Uiso 1 1 calc R U . . .
H11E H -0.005716 0.446326 0.099022 0.155 Uiso 1 1 calc R U . . .
H11F H 0.070330 0.501229 0.074896 0.155 Uiso 1 1 calc R U . . .
C114 C -0.1036(5) 0.4986(6) 0.1604(3) 0.129(4) Uani 1 1 d . U . . .
H11G H -0.096339 0.513471 0.195561 0.194 Uiso 1 1 calc R U . . .
H11H H -0.080614 0.456329 0.157314 0.194 Uiso 1 1 calc R U . . .
H11I H -0.169922 0.481083 0.141636 0.194 Uiso 1 1 calc R U . . .
C115 C -0.0696(5) 0.6768(6) 0.1880(3) 0.113(3) Uani 1 1 d . . . . .
H11J H -0.098219 0.636053 0.206628 0.170 Uiso 1 1 calc R U . . .
H11K H -0.115892 0.698106 0.171023 0.170 Uiso 1 1 calc R U . . .
H11L H -0.016325 0.718239 0.211090 0.170 Uiso 1 1 calc R U . . .
C116 C 0.0425(5) 0.7723(4) 0.1204(3) 0.095(2) Uani 1 1 d . . . . .
H11M H -0.013775 0.784020 0.106499 0.143 Uiso 1 1 calc R U . . .
H11N H 0.085866 0.790483 0.100040 0.143 Uiso 1 1 calc R U . . .
H11O H 0.072933 0.798707 0.154630 0.143 Uiso 1 1 calc R U . . .
C117 C 0.7170(4) 1.0895(3) 0.3237(2) 0.0610(13) Uani 1 1 d . . . . .
C118 C 0.7773(4) 1.0525(3) 0.3141(2) 0.0654(15) Uani 1 1 d . . . . .
C119 C 0.7476(4) 1.0252(3) 0.2624(2) 0.0658(14) Uani 1 1 d . . . . .
C120 C 0.6701(4) 1.0467(3) 0.2396(2) 0.0649(14) Uani 1 1 d . . . . .
C121 C 0.6527(3) 1.0877(3) 0.2774(2) 0.0591(13) Uani 1 1 d . . . . .
C122 C 0.7256(6) 1.1296(4) 0.3731(3) 0.096(2) Uani 1 1 d . . . . .
H12A H 0.763483 1.184862 0.376098 0.144 Uiso 1 1 calc R U . . .
H12B H 0.755814 1.106436 0.399888 0.144 Uiso 1 1 calc R U . . .
H12C H 0.663182 1.123730 0.375687 0.144 Uiso 1 1 calc R U . . .
C123 C 0.8591(4) 1.0453(4) 0.3513(3) 0.094(2) Uani 1 1 d . . . . .
H12D H 0.870468 0.999784 0.339881 0.142 Uiso 1 1 calc R U . . .
H12E H 0.845679 1.039330 0.383577 0.142 Uiso 1 1 calc R U . . .
H12F H 0.914703 1.092044 0.354890 0.142 Uiso 1 1 calc R U . . .
C124 C 0.7878(5) 0.9804(5) 0.2341(4) 0.106(3) Uani 1 1 d . . . . .
H12G H 0.833979 1.016552 0.220306 0.160 Uiso 1 1 calc R U . . .
H12H H 0.737271 0.943655 0.206976 0.160 Uiso 1 1 calc R U . . .
H12I H 0.818002 0.951836 0.256856 0.160 Uiso 1 1 calc R U . . .
C125 C 0.6184(5) 1.0310(5) 0.1851(2) 0.099(3) Uani 1 1 d . . . . .
H12J H 0.552839 1.024299 0.181015 0.148 Uiso 1 1 calc R U . . .
H12K H 0.621373 0.983645 0.170022 0.148 Uiso 1 1 calc R U . . .
H12L H 0.647236 1.074847 0.168555 0.148 Uiso 1 1 calc R U . . .
C126 C 0.5777(5) 1.1208(4) 0.2716(3) 0.085(2) Uani 1 1 d . . . . .
H12M H 0.601232 1.174208 0.264125 0.127 Uiso 1 1 calc R U . . .
H12N H 0.559653 1.120764 0.302589 0.127 Uiso 1 1 calc R U . . .
H12O H 0.523150 1.089308 0.244233 0.127 Uiso 1 1 calc R U . . .
C127 C 0.9235(4) 0.3392(4) 0.2583(3) 0.0771(18) Uani 1 1 d . . . . .
C128 C 0.0448(5) 0.2092(4) 0.5936(3) 0.092(2) Uani 1 1 d . . . . .
S3 S 0.7617(6) 0.6357(4) 0.0567(3) 0.128(3) Uani 0.649(13) 1 d D U P A 1
O15 O 0.7852(16) 0.7127(11) 0.0832(7) 0.208(10) Uani 0.649(13) 1 d . U P A 1
O16 O 0.7340(11) 0.5744(8) 0.0879(6) 0.142(6) Uani 0.649(13) 1 d . U P A 1
O17 O 0.8228(8) 0.6281(6) 0.0275(5) 0.125(4) Uani 0.649(13) 1 d D U P A 1
C129 C 0.6475(13) 0.6215(11) 0.0130(7) 0.130(6) Uani 0.649(13) 1 d D U P A 1
F7 F 0.6167(7) 0.5519(8) -0.0166(5) 0.145(5) Uani 0.649(13) 1 d D U P A 1
F8 F 0.5909(13) 0.6406(15) 0.0280(5) 0.196(8) Uani 0.649(13) 1 d . U P A 1
F9 F 0.6617(8) 0.6710(8) -0.0197(4) 0.155(5) Uani 0.649(13) 1 d . U P A 1
S3' S 0.7235(11) 0.6259(8) 0.0712(4) 0.122(4) Uani 0.351(13) 1 d D U P A 2
O15' O 0.738(3) 0.7069(13) 0.0723(19) 0.25(2) Uani 0.351(13) 1 d D U P A 2
O16' O 0.678(2) 0.5923(14) 0.1061(9) 0.156(9) Uani 0.351(13) 1 d D U P A 2
O17' O 0.792(2) 0.601(3) 0.0604(13) 0.27(2) Uani 0.351(13) 1 d D U P A 2
C229 C 0.6220(17) 0.5777(18) 0.0184(9) 0.158(11) Uani 0.351(13) 1 d D U P A 2
F7' F 0.592(2) 0.4999(17) 0.0102(12) 0.210(12) Uani 0.351(13) 1 d D U P A 2
F8' F 0.551(3) 0.592(2) 0.0264(15) 0.23(2) Uani 0.351(13) 1 d D U P A 2
F9' F 0.629(3) 0.603(3) -0.0249(13) 0.230(17) Uani 0.351(13) 1 d D U P A 2
S4 S 0.9809(2) 0.9190(2) 0.97719(13) 0.0821(9) Uani 0.5 1 d D . P . .
O18 O 0.9580(7) 0.8747(5) 0.9313(3) 0.099(3) Uani 0.5 1 d D U P . .
O19 O 0.9306(9) 0.9668(7) 0.9846(4) 0.114(4) Uani 0.5 1 d D . P . .
O20 O 1.0780(7) 0.9578(7) 0.9894(4) 0.111(3) Uani 0.5 1 d D U P . .
C130 C 0.9575(7) 0.8481(6) 1.0090(5) 0.099(5) Uani 0.5 1 d D U P . .
F10 F 0.8651(9) 0.8034(8) 1.0009(5) 0.158(5) Uani 0.5 1 d D . P . .
F11 F 1.0040(9) 0.7999(7) 1.0109(4) 0.135(4) Uani 0.5 1 d D . P . .
F12 F 0.9795(12) 0.8784(8) 1.0599(4) 0.161(5) Uani 0.5 1 d D U P . .
C131 C 0.6132(9) 0.7834(8) 0.8800(5) 0.152(4) Uani 1 1 d D U . . .
H13A H 0.674383 0.809745 0.904399 0.228 Uiso 1 1 calc R U . . .
H13B H 0.622084 0.766484 0.848634 0.228 Uiso 1 1 calc R U . . .
H13C H 0.576829 0.738061 0.892872 0.228 Uiso 1 1 calc R U . . .
C132 C 0.5626(9) 0.8372(7) 0.8711(4) 0.156(5) Uani 1 1 d D U . . .
H13D H 0.586334 0.875041 0.849118 0.188 Uiso 1 1 calc R U . . .
H13E H 0.494331 0.809253 0.856904 0.188 Uiso 1 1 calc R U . . .
C133 C 0.5274(6) 0.9234(6) 0.9237(5) 0.148(5) Uani 1 1 d D U . . .
H13F H 0.541851 0.967123 0.903987 0.178 Uiso 1 1 calc R U . . .
H13G H 0.459336 0.892529 0.912752 0.178 Uiso 1 1 calc R U . . .
C134 C 0.5612(14) 0.9496(10) 0.9770(6) 0.272(11) Uani 1 1 d D U . . .
H13H H 0.515637 0.918547 0.993305 0.408 Uiso 1 1 calc R U . . .
H13I H 0.569477 1.004404 0.983101 0.408 Uiso 1 1 calc R U . . .
H13J H 0.621290 0.943568 0.990583 0.408 Uiso 1 1 calc R U . . .
O21 O 0.5855(4) 0.8737(3) 0.9213(2) 0.1060(16) Uani 1 1 d D U . . .
C135 C 0.6873(7) 0.8882(7) 0.0700(4) 0.129(4) Uani 1 1 d . . . . .
C136 C 0.7242(9) 0.8743(8) 0.0307(4) 0.165(5) Uani 1 1 d . . . . .
H13K H 0.677345 0.866459 -0.001395 0.248 Uiso 1 1 calc R U . . .
H13L H 0.740121 0.827809 0.034615 0.248 Uiso 1 1 calc R U . . .
H13M H 0.780613 0.919029 0.031848 0.248 Uiso 1 1 calc R U . . .
N5 N 0.6591(8) 0.8982(7) 0.1008(4) 0.179(5) Uani 1 1 d . . . . .
C137 C 0.7574(6) 0.4307(5) 0.0074(3) 0.104(3) Uani 1 1 d . . . . .
H13N H 0.789414 0.430665 0.042259 0.157 Uiso 1 1 calc R U . . .
H13O H 0.743158 0.380566 -0.011898 0.157 Uiso 1 1 calc R U . . .
H13P H 0.699042 0.439110 0.005528 0.157 Uiso 1 1 calc R U . . .
O22 O 0.8149(4) 0.4898(4) -0.0121(2) 0.1137(19) Uani 1 1 d D . . . .
H22 H 0.825(7) 0.533(4) 0.010(3) 0.136 Uiso 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
O2 Rh1 O1 85.97(11) . . ?
O2 Rh1 C46 103.97(15) . . ?
O1 Rh1 C46 111.27(17) . . ?
O2 Rh1 C48 158.41(16) . . ?
O1 Rh1 C48 115.22(16) . . ?
C46 Rh1 C48 65.72(18) . . ?
O2 Rh1 C45 94.15(14) . . ?
O1 Rh1 C45 149.59(16) . . ?
C46 Rh1 C45 39.3(2) . . ?
C48 Rh1 C45 65.65(18) . . ?
O2 Rh1 C44 119.85(16) . . ?
O1 Rh1 C44 154.17(16) . . ?
C46 Rh1 C44 65.71(19) . . ?
C48 Rh1 C44 39.1(2) . . ?
C45 Rh1 C44 39.09(18) . . ?
O2 Rh1 N1 85.89(13) . . ?
O1 Rh1 N1 82.49(13) . . ?
C46 Rh1 N1 163.29(17) . . ?
C48 Rh1 N1 100.31(17) . . ?
C45 Rh1 N1 127.89(17) . . ?
C44 Rh1 N1 97.73(17) . . ?
O2 Rh1 C47 141.34(16) . . ?
O1 Rh1 C47 95.95(16) . . ?
C46 Rh1 C47 39.65(18) . . ?
C48 Rh1 C47 38.20(19) . . ?
C45 Rh1 C47 65.57(19) . . ?
C44 Rh1 C47 64.9(2) . . ?
N1 Rh1 C47 132.71(16) . . ?
O4 Rh2 O3 84.61(11) . . ?
O4 Rh2 C54 105.55(16) . . ?
O3 Rh2 C54 103.87(15) . . ?
O4 Rh2 N2 86.01(12) . 2_677 ?
O3 Rh2 N2 85.01(12) . 2_677 ?
C54 Rh2 N2 165.87(16) . 2_677 ?
O4 Rh2 C57 114.39(17) . . ?
O3 Rh2 C57 159.85(16) . . ?
C54 Rh2 C57 65.83(18) . . ?
N2 Rh2 C57 102.23(16) 2_677 . ?
O4 Rh2 C55 143.80(15) . . ?
O3 Rh2 C55 94.70(15) . . ?
C54 Rh2 C55 39.45(18) . . ?
N2 Rh2 C55 130.08(16) 2_677 . ?
C57 Rh2 C55 66.16(18) . . ?
O4 Rh2 C56 153.89(17) . . ?
O3 Rh2 C56 121.05(16) . . ?
C54 Rh2 C56 66.06(18) . . ?
N2 Rh2 C56 100.00(16) 2_677 . ?
C57 Rh2 C56 39.6(2) . . ?
C55 Rh2 C56 39.42(18) . . ?
O4 Rh2 C58 92.11(16) . . ?
O3 Rh2 C58 140.22(15) . . ?
C54 Rh2 C58 39.16(17) . . ?
N2 Rh2 C58 134.42(15) 2_677 . ?
C57 Rh2 C58 38.68(19) . . ?
C55 Rh2 C58 65.68(18) . . ?
C56 Rh2 C58 65.5(2) . . ?
O5 Rh3 O6 85.16(12) . . ?
O5 Rh3 C108 161.6(2) . . ?
O6 Rh3 C108 108.9(2) . . ?
O5 Rh3 C109 125.3(2) . . ?
O6 Rh3 C109 149.5(2) . . ?
C108 Rh3 C109 41.2(3) . . ?
O5 Rh3 C107 129.60(18) . . ?
O6 Rh3 C107 95.20(16) . . ?
C108 Rh3 C107 39.9(2) . . ?
C109 Rh3 C107 65.36(18) . . ?
O5 Rh3 N3 84.70(14) . . ?
O6 Rh3 N3 83.46(14) . . ?
C108 Rh3 N3 108.08(19) . . ?
C109 Rh3 N3 99.44(18) . . ?
C107 Rh3 N3 145.57(19) . . ?
O5 Rh3 C110 95.6(2) . . ?
O6 Rh3 C110 154.39(19) . . ?
C108 Rh3 C110 66.6(3) . . ?
C109 Rh3 C110 37.1(2) . . ?
C107 Rh3 C110 64.7(2) . . ?
N3 Rh3 C110 122.1(2) . . ?
O5 Rh3 C111 96.93(19) . . ?
O6 Rh3 C111 116.61(18) . . ?
C108 Rh3 C111 66.5(2) . . ?
C109 Rh3 C111 63.3(2) . . ?
C107 Rh3 C111 38.9(2) . . ?
N3 Rh3 C111 159.92(19) . . ?
C110 Rh3 C111 37.8(2) . . ?
O8 Rh4 O7 84.81(12) . . ?
O8 Rh4 C117 109.19(18) . . ?
O7 Rh4 C117 162.59(18) . . ?
O8 Rh4 N4 83.67(14) . 2_666 ?
O7 Rh4 N4 86.22(13) . 2_666 ?
C117 Rh4 N4 105.12(18) . 2_666 ?
O8 Rh4 C119 153.51(19) . . ?
O7 Rh4 C119 97.55(18) . . ?
C117 Rh4 C119 65.3(2) . . ?
N4 Rh4 C119 122.8(2) 2_666 . ?
O8 Rh4 C120 114.50(18) . . ?
O7 Rh4 C120 99.76(18) . . ?
C117 Rh4 C120 65.4(2) . . ?
N4 Rh4 C120 161.17(19) 2_666 . ?
C119 Rh4 C120 39.0(2) . . ?
O8 Rh4 C118 147.4(2) . . ?
O7 Rh4 C118 127.8(2) . . ?
C117 Rh4 C118 39.0(2) . . ?
N4 Rh4 C118 97.00(18) 2_666 . ?
C119 Rh4 C118 38.7(2) . . ?
C120 Rh4 C118 65.2(2) . . ?
O8 Rh4 C121 94.20(16) . . ?
O7 Rh4 C121 132.64(18) . . ?
C117 Rh4 C121 39.0(2) . . ?
N4 Rh4 C121 140.87(19) 2_666 . ?
C119 Rh4 C121 64.8(2) . . ?
C120 Rh4 C121 38.6(2) . . ?
C118 Rh4 C121 64.9(2) . . ?
C19 N1 C23 117.9(4) . . ?
C19 N1 Rh1 122.7(3) . . ?
C23 N1 Rh1 119.3(3) . . ?
C41 N2 C37 118.0(3) . . ?
C41 N2 Rh2 122.8(3) . 2_677 ?
C37 N2 Rh2 119.1(3) . 2_677 ?
C82 N3 C86 117.2(4) . . ?
C82 N3 Rh3 120.7(3) . . ?
C86 N3 Rh3 122.0(3) . . ?
C100 N4 C104 118.2(4) . . ?
C100 N4 Rh4 121.9(3) . 2_666 ?
C104 N4 Rh4 119.9(3) . 2_666 ?
C1 O1 Rh1 127.8(3) . . ?
C3 O2 Rh1 129.2(3) . . ?
C10 O3 Rh2 129.4(3) . . ?
C12 O4 Rh2 127.6(3) . . ?
C64 O5 Rh3 130.4(3) . . ?
C66 O6 Rh3 129.8(3) . . ?
C73 O7 Rh4 129.6(3) . . ?
C75 O8 Rh4 130.8(3) . . ?
O11 S1 O10 117.1(4) . . ?
O11 S1 O9 116.2(4) . . ?
O10 S1 O9 112.1(3) . . ?
O11 S1 C127 104.1(3) . . ?
O10 S1 C127 101.4(3) . . ?
O9 S1 C127 103.2(3) . . ?
O12 S2 O13 114.7(3) . . ?
O12 S2 O14 114.3(3) . . ?
O13 S2 O14 116.6(4) . . ?
O12 S2 C128 104.1(4) . . ?
O13 S2 C128 102.1(4) . . ?
O14 S2 C128 102.4(3) . . ?
O1 C1 C2 126.1(4) . . ?
O1 C1 C18 114.4(4) . . ?
C2 C1 C18 119.5(4) . . ?
C3 C2 C1 121.1(4) . . ?
C3 C2 C11 119.5(4) . . ?
C1 C2 C11 119.3(4) . . ?
O2 C3 C2 126.4(4) . . ?
O2 C3 C4 113.9(4) . . ?
C2 C3 C4 119.6(4) . . ?
C9 C4 C5 119.6(4) . . ?
C9 C4 C3 120.7(4) . . ?
C5 C4 C3 119.6(4) . . ?
C6 C5 C4 119.1(4) . . ?
C6 C5 H5 120.4 . . ?
C4 C5 H5 120.4 . . ?
C7 C6 C5 120.9(5) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C8 C7 C6 119.8(4) . . ?
C8 C7 H7 120.1 . . ?
C6 C7 H7 120.1 . . ?
C7 C8 C9 121.3(4) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 H8 119.4 . . ?
C4 C9 C8 119.2(4) . . ?
C4 C9 C10 120.8(4) . . ?
C8 C9 C10 120.0(4) . . ?
O3 C10 C11 126.0(4) . . ?
O3 C10 C9 114.6(3) . . ?
C11 C10 C9 119.4(4) . . ?
C12 C11 C10 120.5(4) . . ?
C12 C11 C2 119.9(4) . . ?
C10 C11 C2 119.6(4) . . ?
O4 C12 C11 126.6(4) . . ?
O4 C12 C13 113.7(4) . . ?
C11 C12 C13 119.7(4) . . ?
C18 C13 C14 120.0(4) . . ?
C18 C13 C12 120.3(4) . . ?
C14 C13 C12 119.7(4) . . ?
C15 C14 C13 120.1(5) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C15 C16 120.1(5) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 H15 120.0 . . ?
C17 C16 C15 120.8(5) . . ?
C17 C16 H16 119.6 . . ?
C15 C16 H16 119.6 . . ?
C16 C17 C18 120.0(5) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C13 C18 C17 119.1(4) . . ?
C13 C18 C1 120.8(4) . . ?
C17 C18 C1 120.1(4) . . ?
N1 C19 C20 122.1(4) . . ?
N1 C19 H19 118.9 . . ?
C20 C19 H19 118.9 . . ?
C19 C20 C21 120.6(4) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C22 116.6(4) . . ?
C20 C21 C24 122.3(4) . . ?
C22 C21 C24 121.1(4) . . ?
C23 C22 C21 119.7(4) . . ?
C23 C22 H22A 120.2 . . ?
C21 C22 H22A 120.2 . . ?
N1 C23 C22 123.1(4) . . ?
N1 C23 H23 118.4 . . ?
C22 C23 H23 118.4 . . ?
C36 C24 C25 119.0(4) . . ?
C36 C24 C21 120.0(4) . . ?
C25 C24 C21 121.0(4) . . ?
C26 C25 C24 119.7(4) . . ?
C26 C25 H25 120.2 . . ?
C24 C25 H25 120.2 . . ?
C25 C26 C34 120.4(4) . . ?
C25 C26 C27 128.9(4) . . ?
C34 C26 C27 110.7(3) . . ?
C28 C27 C26 101.0(3) . . ?
C28 C27 C43 112.4(3) . . ?
C26 C27 C43 111.2(3) . . ?
C28 C27 C42 111.4(3) . . ?
C26 C27 C42 110.7(3) . . ?
C43 C27 C42 109.8(3) . . ?
C29 C28 C33 120.1(4) . . ?
C29 C28 C27 128.7(4) . . ?
C33 C28 C27 111.1(3) . . ?
C28 C29 C30 119.9(4) . . ?
C28 C29 H29 120.1 . . ?
C30 C29 H29 120.1 . . ?
C29 C30 C31 119.2(4) . . ?
C29 C30 C39 120.6(4) . . ?
C31 C30 C39 120.2(3) . . ?
C32 C31 C30 121.6(4) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C31 C32 C33 118.5(4) . . ?
C31 C32 H32 120.7 . . ?
C33 C32 H32 120.7 . . ?
C32 C33 C28 120.7(4) . . ?
C32 C33 C34 130.9(4) . . ?
C28 C33 C34 108.4(3) . . ?
C35 C34 C26 120.6(4) . . ?
C35 C34 C33 130.7(4) . . ?
C26 C34 C33 108.7(3) . . ?
C36 C35 C34 118.4(4) . . ?
C36 C35 H35 120.8 . . ?
C34 C35 H35 120.8 . . ?
C35 C36 C24 121.8(4) . . ?
C35 C36 H36 119.1 . . ?
C24 C36 H36 119.1 . . ?
N2 C37 C38 122.5(4) . . ?
N2 C37 H37 118.8 . . ?
C38 C37 H37 118.8 . . ?
C37 C38 C39 120.4(4) . . ?
C37 C38 H38 119.8 . . ?
C39 C38 H38 119.8 . . ?
C38 C39 C40 116.5(4) . . ?
C38 C39 C30 121.0(3) . . ?
C40 C39 C30 122.5(3) . . ?
C41 C40 C39 119.9(4) . . ?
C41 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
N2 C41 C40 122.7(4) . . ?
N2 C41 H41 118.7 . . ?
C40 C41 H41 118.7 . . ?
C27 C42 H42A 109.5 . . ?
C27 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C27 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C27 C43 H43A 109.5 . . ?
C27 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C27 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C45 C44 C48 108.1(5) . . ?
C45 C44 C49 125.2(5) . . ?
C48 C44 C49 126.7(5) . . ?
C45 C44 Rh1 70.5(3) . . ?
C48 C44 Rh1 70.4(3) . . ?
C49 C44 Rh1 125.2(4) . . ?
C44 C45 C46 107.8(4) . . ?
C44 C45 C50 125.8(5) . . ?
C46 C45 C50 126.3(4) . . ?
C44 C45 Rh1 70.5(3) . . ?
C46 C45 Rh1 70.0(3) . . ?
C50 C45 Rh1 123.2(3) . . ?
C45 C46 C47 107.1(4) . . ?
C45 C46 C51 126.2(5) . . ?
C47 C46 C51 126.7(5) . . ?
C45 C46 Rh1 70.7(2) . . ?
C47 C46 Rh1 70.7(2) . . ?
C51 C46 Rh1 126.0(3) . . ?
C48 C47 C46 108.6(4) . . ?
C48 C47 C52 126.2(5) . . ?
C46 C47 C52 125.1(5) . . ?
C48 C47 Rh1 70.6(3) . . ?
C46 C47 Rh1 69.6(2) . . ?
C52 C47 Rh1 122.7(3) . . ?
C47 C48 C44 108.4(4) . . ?
C47 C48 C53 126.2(5) . . ?
C44 C48 C53 125.3(5) . . ?
C47 C48 Rh1 71.2(3) . . ?
C44 C48 Rh1 70.5(3) . . ?
C53 C48 Rh1 127.1(3) . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
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 . . ?
C58 C54 C55 108.4(4) . . ?
C58 C54 C59 125.5(4) . . ?
C55 C54 C59 126.1(4) . . ?
C58 C54 Rh2 71.5(2) . . ?
C55 C54 Rh2 71.1(2) . . ?
C59 C54 Rh2 123.1(3) . . ?
C54 C55 C56 107.4(4) . . ?
C54 C55 C60 126.0(4) . . ?
C56 C55 C60 126.5(5) . . ?
C54 C55 Rh2 69.4(2) . . ?
C56 C55 Rh2 70.5(2) . . ?
C60 C55 Rh2 124.2(3) . . ?
C55 C56 C57 107.4(4) . . ?
C55 C56 C61 127.0(5) . . ?
C57 C56 C61 125.6(5) . . ?
C55 C56 Rh2 70.1(2) . . ?
C57 C56 Rh2 69.7(3) . . ?
C61 C56 Rh2 126.8(4) . . ?
C58 C57 C56 108.3(4) . . ?
C58 C57 C62 127.0(5) . . ?
C56 C57 C62 124.6(5) . . ?
C58 C57 Rh2 71.2(3) . . ?
C56 C57 Rh2 70.7(3) . . ?
C62 C57 Rh2 127.2(3) . . ?
C57 C58 C54 108.4(4) . . ?
C57 C58 C63 125.9(4) . . ?
C54 C58 C63 125.6(5) . . ?
C57 C58 Rh2 70.1(3) . . ?
C54 C58 Rh2 69.3(2) . . ?
C63 C58 Rh2 123.7(3) . . ?
C54 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C54 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
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 . . ?
O5 C64 C65 126.8(4) . . ?
O5 C64 C81 113.8(4) . . ?
C65 C64 C81 119.4(4) . . ?
C66 C65 C64 120.2(4) . . ?
C66 C65 C74 119.9(4) . . ?
C64 C65 C74 119.9(4) . . ?
O6 C66 C65 127.0(4) . . ?
O6 C66 C67 113.8(4) . . ?
C65 C66 C67 119.1(4) . . ?
C72 C67 C68 119.5(4) . . ?
C72 C67 C66 120.9(4) . . ?
C68 C67 C66 119.6(4) . . ?
C69 C68 C67 120.0(4) . . ?
C69 C68 H68 120.0 . . ?
C67 C68 H68 120.0 . . ?
C68 C69 C70 120.4(4) . . ?
C68 C69 H69 119.8 . . ?
C70 C69 H69 119.8 . . ?
C71 C70 C69 120.1(4) . . ?
C71 C70 H70 119.9 . . ?
C69 C70 H70 119.9 . . ?
C70 C71 C72 120.5(4) . . ?
C70 C71 H71 119.7 . . ?
C72 C71 H71 119.7 . . ?
C67 C72 C71 119.4(4) . . ?
C67 C72 C73 121.0(4) . . ?
C71 C72 C73 119.6(4) . . ?
O7 C73 C74 126.2(4) . . ?
O7 C73 C72 114.9(4) . . ?
C74 C73 C72 118.9(4) . . ?
C75 C74 C73 120.5(4) . . ?
C75 C74 C65 119.5(4) . . ?
C73 C74 C65 119.9(4) . . ?
O8 C75 C74 126.0(4) . . ?
O8 C75 C76 114.2(4) . . ?
C74 C75 C76 119.8(4) . . ?
C81 C76 C77 119.7(4) . . ?
C81 C76 C75 120.4(4) . . ?
C77 C76 C75 119.8(4) . . ?
C78 C77 C76 120.0(5) . . ?
C78 C77 H77 120.0 . . ?
C76 C77 H77 120.0 . . ?
C79 C78 C77 120.5(5) . . ?
C79 C78 H78 119.7 . . ?
C77 C78 H78 119.7 . . ?
C80 C79 C78 119.8(5) . . ?
C80 C79 H79 120.1 . . ?
C78 C79 H79 120.1 . . ?
C79 C80 C81 121.0(5) . . ?
C79 C80 H80 119.5 . . ?
C81 C80 H80 119.5 . . ?
C76 C81 C80 118.9(4) . . ?
C76 C81 C64 120.7(4) . . ?
C80 C81 C64 120.4(4) . . ?
N3 C82 C83 123.0(4) . . ?
N3 C82 H82 118.5 . . ?
C83 C82 H82 118.5 . . ?
C82 C83 C84 121.1(5) . . ?
C82 C83 H83 119.5 . . ?
C84 C83 H83 119.5 . . ?
C85 C84 C83 115.4(4) . . ?
C85 C84 C87 122.9(4) . . ?
C83 C84 C87 121.6(4) . . ?
C86 C85 C84 120.4(4) . . ?
C86 C85 H85 119.8 . . ?
C84 C85 H85 119.8 . . ?
N3 C86 C85 122.8(5) . . ?
N3 C86 H86 118.6 . . ?
C85 C86 H86 118.6 . . ?
C99 C87 C88 118.8(4) . . ?
C99 C87 C84 120.1(4) . . ?
C88 C87 C84 121.1(4) . . ?
C89 C88 C87 119.8(4) . . ?
C89 C88 H88 120.1 . . ?
C87 C88 H88 120.1 . . ?
C88 C89 C97 120.4(4) . . ?
C88 C89 C90 128.7(4) . . ?
C97 C89 C90 110.9(4) . . ?
C91 C90 C105 111.5(4) . . ?
C91 C90 C89 101.1(4) . . ?
C105 C90 C89 111.5(4) . . ?
C91 C90 C106 110.5(4) . . ?
C105 C90 C106 110.3(4) . . ?
C89 C90 C106 111.7(4) . . ?
C92 C91 C96 120.2(4) . . ?
C92 C91 C90 129.2(4) . . ?
C96 C91 C90 110.6(4) . . ?
C91 C92 C93 119.9(4) . . ?
C91 C92 H92 120.0 . . ?
C93 C92 H92 120.0 . . ?
C92 C93 C94 119.3(4) . . ?
C92 C93 C102 120.8(4) . . ?
C94 C93 C102 119.8(5) . . ?
C95 C94 C93 121.4(5) . . ?
C95 C94 H94 119.3 . . ?
C93 C94 H94 119.3 . . ?
C96 C95 C94 118.3(5) . . ?
C96 C95 H95 120.9 . . ?
C94 C95 H95 120.9 . . ?
C95 C96 C91 120.8(4) . . ?
C95 C96 C97 130.2(4) . . ?
C91 C96 C97 108.9(4) . . ?
C98 C97 C89 120.9(4) . . ?
C98 C97 C96 130.7(5) . . ?
C89 C97 C96 108.5(4) . . ?
C99 C98 C97 118.4(5) . . ?
C99 C98 H98 120.8 . . ?
C97 C98 H98 120.8 . . ?
C98 C99 C87 121.8(4) . . ?
C98 C99 H99 119.1 . . ?
C87 C99 H99 119.1 . . ?
N4 C100 C101 122.4(4) . . ?
N4 C100 H100 118.8 . . ?
C101 C100 H100 118.8 . . ?
C100 C101 C102 120.4(5) . . ?
C100 C101 H101 119.8 . . ?
C102 C101 H101 119.8 . . ?
C101 C102 C103 116.8(4) . . ?
C101 C102 C93 122.7(5) . . ?
C103 C102 C93 120.5(4) . . ?
C104 C103 C102 120.0(5) . . ?
C104 C103 H103 120.0 . . ?
C102 C103 H103 120.0 . . ?
N4 C104 C103 122.3(5) . . ?
N4 C104 H104 118.9 . . ?
C103 C104 H104 118.9 . . ?
C90 C105 H10A 109.5 . . ?
C90 C105 H10B 109.5 . . ?
H10A C105 H10B 109.5 . . ?
C90 C105 H10C 109.5 . . ?
H10A C105 H10C 109.5 . . ?
H10B C105 H10C 109.5 . . ?
C90 C106 H10D 109.5 . . ?
C90 C106 H10E 109.5 . . ?
H10D C106 H10E 109.5 . . ?
C90 C106 H10F 109.5 . . ?
H10D C106 H10F 109.5 . . ?
H10E C106 H10F 109.5 . . ?
C111 C107 C108 109.1(5) . . ?
C111 C107 C112 125.5(5) . . ?
C108 C107 C112 125.5(6) . . ?
C111 C107 Rh3 71.5(3) . . ?
C108 C107 Rh3 69.8(3) . . ?
C112 C107 Rh3 124.3(4) . . ?
C107 C108 C113 124.8(6) . . ?
C107 C108 C109 102.5(5) . . ?
C113 C108 C109 132.6(6) . . ?
C107 C108 Rh3 70.3(3) . . ?
C113 C108 Rh3 125.7(5) . . ?
C109 C108 Rh3 69.6(3) . . ?
C110 C109 C108 110.5(5) . . ?
C110 C109 C114 128.7(7) . . ?
C108 C109 C114 120.8(7) . . ?
C110 C109 Rh3 72.4(3) . . ?
C108 C109 Rh3 69.3(3) . . ?
C114 C109 Rh3 126.1(4) . . ?
C109 C110 C111 109.3(6) . . ?
C109 C110 C115 126.1(6) . . ?
C111 C110 C115 124.5(7) . . ?
C109 C110 Rh3 70.6(3) . . ?
C111 C110 Rh3 71.2(3) . . ?
C115 C110 Rh3 123.1(4) . . ?
C110 C111 C107 108.6(6) . . ?
C110 C111 C116 124.6(6) . . ?
C107 C111 C116 126.8(6) . . ?
C110 C111 Rh3 71.0(3) . . ?
C107 C111 Rh3 69.6(3) . . ?
C116 C111 Rh3 125.3(4) . . ?
C107 C112 H11A 109.5 . . ?
C107 C112 H11B 109.5 . . ?
H11A C112 H11B 109.5 . . ?
C107 C112 H11C 109.5 . . ?
H11A C112 H11C 109.5 . . ?
H11B C112 H11C 109.5 . . ?
C108 C113 H11D 109.5 . . ?
C108 C113 H11E 109.5 . . ?
H11D C113 H11E 109.5 . . ?
C108 C113 H11F 109.5 . . ?
H11D C113 H11F 109.5 . . ?
H11E C113 H11F 109.5 . . ?
C109 C114 H11G 109.5 . . ?
C109 C114 H11H 109.5 . . ?
H11G C114 H11H 109.5 . . ?
C109 C114 H11I 109.5 . . ?
H11G C114 H11I 109.5 . . ?
H11H C114 H11I 109.5 . . ?
C110 C115 H11J 109.5 . . ?
C110 C115 H11K 109.5 . . ?
H11J C115 H11K 109.5 . . ?
C110 C115 H11L 109.5 . . ?
H11J C115 H11L 109.5 . . ?
H11K C115 H11L 109.5 . . ?
C111 C116 H11M 109.5 . . ?
C111 C116 H11N 109.5 . . ?
H11M C116 H11N 109.5 . . ?
C111 C116 H11O 109.5 . . ?
H11M C116 H11O 109.5 . . ?
H11N C116 H11O 109.5 . . ?
C118 C117 C121 108.0(5) . . ?
C118 C117 C122 125.7(6) . . ?
C121 C117 C122 126.1(6) . . ?
C118 C117 Rh4 71.5(3) . . ?
C121 C117 Rh4 71.6(3) . . ?
C122 C117 Rh4 126.8(4) . . ?
C119 C118 C117 107.7(5) . . ?
C119 C118 C123 125.7(6) . . ?
C117 C118 C123 126.6(6) . . ?
C119 C118 Rh4 70.4(3) . . ?
C117 C118 Rh4 69.5(3) . . ?
C123 C118 Rh4 126.8(4) . . ?
C118 C119 C120 108.3(5) . . ?
C118 C119 C124 127.9(6) . . ?
C120 C119 C124 123.8(6) . . ?
C118 C119 Rh4 71.0(3) . . ?
C120 C119 Rh4 70.5(3) . . ?
C124 C119 Rh4 123.9(4) . . ?
C121 C120 C119 107.7(5) . . ?
C121 C120 C125 126.1(6) . . ?
C119 C120 C125 126.2(6) . . ?
C121 C120 Rh4 71.0(3) . . ?
C119 C120 Rh4 70.4(3) . . ?
C125 C120 Rh4 125.5(4) . . ?
C120 C121 C117 108.2(5) . . ?
C120 C121 C126 127.2(6) . . ?
C117 C121 C126 124.5(6) . . ?
C120 C121 Rh4 70.4(3) . . ?
C117 C121 Rh4 69.4(3) . . ?
C126 C121 Rh4 123.7(4) . . ?
C117 C122 H12A 109.5 . . ?
C117 C122 H12B 109.5 . . ?
H12A C122 H12B 109.5 . . ?
C117 C122 H12C 109.5 . . ?
H12A C122 H12C 109.5 . . ?
H12B C122 H12C 109.5 . . ?
C118 C123 H12D 109.5 . . ?
C118 C123 H12E 109.5 . . ?
H12D C123 H12E 109.5 . . ?
C118 C123 H12F 109.5 . . ?
H12D C123 H12F 109.5 . . ?
H12E C123 H12F 109.5 . . ?
C119 C124 H12G 109.5 . . ?
C119 C124 H12H 109.5 . . ?
H12G C124 H12H 109.5 . . ?
C119 C124 H12I 109.5 . . ?
H12G C124 H12I 109.5 . . ?
H12H C124 H12I 109.5 . . ?
C120 C125 H12J 109.5 . . ?
C120 C125 H12K 109.5 . . ?
H12J C125 H12K 109.5 . . ?
C120 C125 H12L 109.5 . . ?
H12J C125 H12L 109.5 . . ?
H12K C125 H12L 109.5 . . ?
C121 C126 H12M 109.5 . . ?
C121 C126 H12N 109.5 . . ?
H12M C126 H12N 109.5 . . ?
C121 C126 H12O 109.5 . . ?
H12M C126 H12O 109.5 . . ?
H12N C126 H12O 109.5 . . ?
F1 C127 F2 113.8(6) . . ?
F1 C127 F3 101.6(6) . . ?
F2 C127 F3 100.5(7) . . ?
F1 C127 S1 115.8(5) . . ?
F2 C127 S1 113.8(4) . . ?
F3 C127 S1 109.3(5) . . ?
F5 C128 F6 109.1(8) . . ?
F5 C128 F4 105.7(7) . . ?
F6 C128 F4 107.2(6) . . ?
F5 C128 S2 111.9(5) . . ?
F6 C128 S2 111.2(6) . . ?
F4 C128 S2 111.5(6) . . ?
O17 S3 O15 116.9(14) . . ?
O17 S3 O16 116.4(9) . . ?
O15 S3 O16 111.5(13) . . ?
O17 S3 C129 107.7(9) . . ?
O15 S3 C129 100.9(9) . . ?
O16 S3 C129 100.7(11) . . ?
F8 C129 F9 98.5(16) . . ?
F8 C129 F7 118.9(19) . . ?
F9 C129 F7 101.5(17) . . ?
F8 C129 S3 119.0(14) . . ?
F9 C129 S3 107.9(14) . . ?
F7 C129 S3 108.3(10) . . ?
O16' S3' O17' 120.3(19) . . ?
O16' S3' O15' 112.0(18) . . ?
O17' S3' O15' 118(2) . . ?
O16' S3' C229 93.8(16) . . ?
O17' S3' C229 102.9(19) . . ?
O15' S3' C229 105(2) . . ?
F8' C229 F9' 105(2) . . ?
F8' C229 F7' 104(2) . . ?
F9' C229 F7' 107(2) . . ?
F8' C229 S3' 108(3) . . ?
F9' C229 S3' 115(3) . . ?
F7' C229 S3' 117(2) . . ?
O18 S4 O20 104.5(7) . . ?
O18 S4 O19 120.6(6) . . ?
O20 S4 O19 114.4(8) . . ?
O18 S4 C130 97.1(6) . . ?
O20 S4 C130 109.4(6) . . ?
O19 S4 C130 109.2(7) . . ?
O18 S4 O19 139.4(6) . 2_777 ?
O20 S4 O19 48.7(6) . 2_777 ?
O19 S4 O19 66.5(7) . 2_777 ?
C130 S4 O19 119.1(6) . 2_777 ?
S4 O19 O20 152.8(10) . 2_777 ?
S4 O19 S4 113.5(7) . 2_777 ?
O20 O19 S4 40.6(5) 2_777 2_777 ?
S4 O20 O19 90.7(8) . 2_777 ?
F11 C130 F10 107.2(11) . . ?
F11 C130 F12 102.9(11) . . ?
F10 C130 F12 99.4(12) . . ?
F11 C130 S4 119.0(9) . . ?
F10 C130 S4 116.7(10) . . ?
F12 C130 S4 108.9(8) . . ?
C132 C131 H13A 109.5 . . ?
C132 C131 H13B 109.5 . . ?
H13A C131 H13B 109.5 . . ?
C132 C131 H13C 109.5 . . ?
H13A C131 H13C 109.5 . . ?
H13B C131 H13C 109.5 . . ?
O21 C132 C131 99.8(9) . . ?
O21 C132 H13D 111.8 . . ?
C131 C132 H13D 111.8 . . ?
O21 C132 H13E 111.8 . . ?
C131 C132 H13E 111.8 . . ?
H13D C132 H13E 109.5 . . ?
C134 C133 O21 98.3(12) . . ?
C134 C133 H13F 112.1 . . ?
O21 C133 H13F 112.1 . . ?
C134 C133 H13G 112.1 . . ?
O21 C133 H13G 112.1 . . ?
H13F C133 H13G 109.8 . . ?
C133 C134 H13H 109.5 . . ?
C133 C134 H13I 109.5 . . ?
H13H C134 H13I 109.5 . . ?
C133 C134 H13J 109.5 . . ?
H13H C134 H13J 109.5 . . ?
H13I C134 H13J 109.5 . . ?
C132 O21 C133 110.1(9) . . ?
N5 C135 C136 179.0(17) . . ?
C135 C136 H13K 109.5 . . ?
C135 C136 H13L 109.5 . . ?
H13K C136 H13L 109.5 . . ?
C135 C136 H13M 109.5 . . ?
H13K C136 H13M 109.5 . . ?
H13L C136 H13M 109.5 . . ?
O22 C137 H13N 109.5 . . ?
O22 C137 H13O 109.5 . . ?
H13N C137 H13O 109.5 . . ?
O22 C137 H13P 109.5 . . ?
H13N C137 H13P 109.5 . . ?
H13O C137 H13P 109.5 . . ?
C137 O22 H22 101(7) . . ?
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 O2 2.054(3) . ?
Rh1 O1 2.057(3) . ?
Rh1 C46 2.130(4) . ?
Rh1 C48 2.138(4) . ?
Rh1 C45 2.139(4) . ?
Rh1 C44 2.139(5) . ?
Rh1 N1 2.140(3) . ?
Rh1 C47 2.145(4) . ?
Rh2 O4 2.054(3) . ?
Rh2 O3 2.062(3) . ?
Rh2 C54 2.118(4) . ?
Rh2 N2 2.129(3) 2_677 ?
Rh2 C57 2.133(5) . ?
Rh2 C55 2.140(4) . ?
Rh2 C56 2.146(5) . ?
Rh2 C58 2.147(4) . ?
Rh3 O5 2.050(3) . ?
Rh3 O6 2.062(3) . ?
Rh3 C108 2.123(5) . ?
Rh3 C109 2.128(5) . ?
Rh3 C107 2.129(5) . ?
Rh3 N3 2.137(4) . ?
Rh3 C110 2.150(6) . ?
Rh3 C111 2.154(5) . ?
Rh4 O8 2.054(3) . ?
Rh4 O7 2.065(3) . ?
Rh4 C117 2.118(5) . ?
Rh4 N4 2.125(4) 2_666 ?
Rh4 C119 2.137(5) . ?
Rh4 C120 2.138(5) . ?
Rh4 C118 2.145(5) . ?
Rh4 C121 2.146(5) . ?
N1 C19 1.344(5) . ?
N1 C23 1.347(6) . ?
N2 C41 1.334(5) . ?
N2 C37 1.347(5) . ?
N3 C82 1.322(7) . ?
N3 C86 1.349(6) . ?
N4 C100 1.343(6) . ?
N4 C104 1.344(6) . ?
O1 C1 1.282(5) . ?
O2 C3 1.285(5) . ?
O3 C10 1.270(5) . ?
O4 C12 1.274(5) . ?
O5 C64 1.269(5) . ?
O6 C66 1.274(5) . ?
O7 C73 1.269(5) . ?
O8 C75 1.281(5) . ?
O9 S1 1.446(5) . ?
O10 S1 1.422(5) . ?
O11 S1 1.390(5) . ?
O12 S2 1.423(5) . ?
O13 S2 1.424(5) . ?
O14 S2 1.429(5) . ?
S1 C127 1.795(6) . ?
S2 C128 1.827(8) . ?
F1 C127 1.277(8) . ?
F2 C127 1.282(7) . ?
F3 C127 1.358(9) . ?
F4 C128 1.332(9) . ?
F5 C128 1.316(9) . ?
F6 C128 1.322(8) . ?
C1 C2 1.427(6) . ?
C1 C18 1.459(6) . ?
C2 C3 1.417(6) . ?
C2 C11 1.479(6) . ?
C3 C4 1.470(6) . ?
C4 C9 1.387(6) . ?
C4 C5 1.413(6) . ?
C5 C6 1.388(7) . ?
C5 H5 0.9500 . ?
C6 C7 1.381(7) . ?
C6 H6 0.9500 . ?
C7 C8 1.361(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.402(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.463(6) . ?
C10 C11 1.432(5) . ?
C11 C12 1.413(6) . ?
C12 C13 1.467(6) . ?
C13 C18 1.401(6) . ?
C13 C14 1.406(7) . ?
C14 C15 1.384(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(8) . ?
C15 H15 0.9500 . ?
C16 C17 1.380(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.414(6) . ?
C17 H17 0.9500 . ?
C19 C20 1.375(6) . ?
C19 H19 0.9500 . ?
C20 C21 1.399(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.399(6) . ?
C21 C24 1.471(6) . ?
C22 C23 1.373(6) . ?
C22 H22A 0.9500 . ?
C23 H23 0.9500 . ?
C24 C36 1.402(6) . ?
C24 C25 1.403(6) . ?
C25 C26 1.380(5) . ?
C25 H25 0.9500 . ?
C26 C34 1.402(6) . ?
C26 C27 1.524(5) . ?
C27 C28 1.519(5) . ?
C27 C43 1.539(6) . ?
C27 C42 1.542(5) . ?
C28 C29 1.382(6) . ?
C28 C33 1.399(6) . ?
C29 C30 1.397(5) . ?
C29 H29 0.9500 . ?
C30 C31 1.399(6) . ?
C30 C39 1.483(5) . ?
C31 C32 1.381(6) . ?
C31 H31 0.9500 . ?
C32 C33 1.396(6) . ?
C32 H32 0.9500 . ?
C33 C34 1.457(5) . ?
C34 C35 1.393(6) . ?
C35 C36 1.384(6) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.374(6) . ?
C37 H37 0.9500 . ?
C38 C39 1.392(6) . ?
C38 H38 0.9500 . ?
C39 C40 1.399(5) . ?
C40 C41 1.383(6) . ?
C40 H40 0.9500 . ?
C41 H41 0.9500 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 C45 1.431(6) . ?
C44 C48 1.432(7) . ?
C44 C49 1.496(8) . ?
C45 C46 1.435(7) . ?
C45 C50 1.493(7) . ?
C46 C47 1.450(7) . ?
C46 C51 1.503(7) . ?
C47 C48 1.401(7) . ?
C47 C52 1.497(8) . ?
C48 C53 1.507(7) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
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 C58 1.430(6) . ?
C54 C55 1.438(7) . ?
C54 C59 1.507(6) . ?
C55 C56 1.446(7) . ?
C55 C60 1.486(7) . ?
C56 C57 1.448(7) . ?
C56 C61 1.495(7) . ?
C57 C58 1.418(7) . ?
C57 C62 1.502(7) . ?
C58 C63 1.489(7) . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
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 C65 1.427(6) . ?
C64 C81 1.456(6) . ?
C65 C66 1.426(6) . ?
C65 C74 1.472(6) . ?
C66 C67 1.475(6) . ?
C67 C72 1.386(6) . ?
C67 C68 1.406(6) . ?
C68 C69 1.378(7) . ?
C68 H68 0.9500 . ?
C69 C70 1.390(7) . ?
C69 H69 0.9500 . ?
C70 C71 1.364(7) . ?
C70 H70 0.9500 . ?
C71 C72 1.411(6) . ?
C71 H71 0.9500 . ?
C72 C73 1.472(6) . ?
C73 C74 1.435(6) . ?
C74 C75 1.417(6) . ?
C75 C76 1.463(6) . ?
C76 C81 1.399(6) . ?
C76 C77 1.400(6) . ?
C77 C78 1.386(7) . ?
C77 H77 0.9500 . ?
C78 C79 1.384(8) . ?
C78 H78 0.9500 . ?
C79 C80 1.376(7) . ?
C79 H79 0.9500 . ?
C80 C81 1.401(6) . ?
C80 H80 0.9500 . ?
C82 C83 1.358(7) . ?
C82 H82 0.9500 . ?
C83 C84 1.396(6) . ?
C83 H83 0.9500 . ?
C84 C85 1.388(7) . ?
C84 C87 1.480(6) . ?
C85 C86 1.366(7) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
C87 C99 1.392(7) . ?
C87 C88 1.411(6) . ?
C88 C89 1.372(6) . ?
C88 H88 0.9500 . ?
C89 C97 1.393(7) . ?
C89 C90 1.532(6) . ?
C90 C91 1.522(7) . ?
C90 C105 1.524(7) . ?
C90 C106 1.543(7) . ?
C91 C92 1.385(6) . ?
C91 C96 1.399(6) . ?
C92 C93 1.391(7) . ?
C92 H92 0.9500 . ?
C93 C94 1.399(7) . ?
C93 C102 1.476(6) . ?
C94 C95 1.393(7) . ?
C94 H94 0.9500 . ?
C95 C96 1.391(7) . ?
C95 H95 0.9500 . ?
C96 C97 1.462(6) . ?
C97 C98 1.391(6) . ?
C98 C99 1.382(7) . ?
C98 H98 0.9500 . ?
C99 H99 0.9500 . ?
C100 C101 1.379(6) . ?
C100 H100 0.9500 . ?
C101 C102 1.389(7) . ?
C101 H101 0.9500 . ?
C102 C103 1.400(7) . ?
C103 C104 1.384(7) . ?
C103 H103 0.9500 . ?
C104 H104 0.9500 . ?
C105 H10A 0.9800 . ?
C105 H10B 0.9800 . ?
C105 H10C 0.9800 . ?
C106 H10D 0.9800 . ?
C106 H10E 0.9800 . ?
C106 H10F 0.9800 . ?
C107 C111 1.426(8) . ?
C107 C108 1.452(7) . ?
C107 C112 1.503(7) . ?
C108 C113 1.462(10) . ?
C108 C109 1.494(9) . ?
C109 C110 1.359(9) . ?
C109 C114 1.496(8) . ?
C110 C111 1.394(8) . ?
C110 C115 1.512(10) . ?
C111 C116 1.505(9) . ?
C112 H11A 0.9800 . ?
C112 H11B 0.9800 . ?
C112 H11C 0.9800 . ?
C113 H11D 0.9800 . ?
C113 H11E 0.9800 . ?
C113 H11F 0.9800 . ?
C114 H11G 0.9800 . ?
C114 H11H 0.9800 . ?
C114 H11I 0.9800 . ?
C115 H11J 0.9800 . ?
C115 H11K 0.9800 . ?
C115 H11L 0.9800 . ?
C116 H11M 0.9800 . ?
C116 H11N 0.9800 . ?
C116 H11O 0.9800 . ?
C117 C118 1.423(8) . ?
C117 C121 1.424(8) . ?
C117 C122 1.497(9) . ?
C118 C119 1.418(9) . ?
C118 C123 1.495(8) . ?
C119 C120 1.428(8) . ?
C119 C124 1.513(9) . ?
C120 C121 1.415(8) . ?
C120 C125 1.503(8) . ?
C121 C126 1.495(8) . ?
C122 H12A 0.9800 . ?
C122 H12B 0.9800 . ?
C122 H12C 0.9800 . ?
C123 H12D 0.9800 . ?
C123 H12E 0.9800 . ?
C123 H12F 0.9800 . ?
C124 H12G 0.9800 . ?
C124 H12H 0.9800 . ?
C124 H12I 0.9800 . ?
C125 H12J 0.9800 . ?
C125 H12K 0.9800 . ?
C125 H12L 0.9800 . ?
C126 H12M 0.9800 . ?
C126 H12N 0.9800 . ?
C126 H12O 0.9800 . ?
S3 O17 1.453(13) . ?
S3 O15 1.462(19) . ?
S3 O16 1.475(16) . ?
S3 C129 1.838(14) . ?
C129 F8 1.23(2) . ?
C129 F9 1.32(3) . ?
C129 F7 1.368(15) . ?
S3' O16' 1.400(15) . ?
S3' O17' 1.410(17) . ?
S3' O15' 1.436(17) . ?
S3' C229 1.812(18) . ?
C229 F8' 1.308(19) . ?
C229 F9' 1.329(19) . ?
C229 F7' 1.343(19) . ?
S4 O18 1.391(5) . ?
S4 O20 1.399(11) . ?
S4 O19 1.422(9) . ?
S4 C130 1.603(12) . ?
S4 O19 2.149(13) 2_777 ?
O19 O20 1.614(15) 2_777 ?
C130 F11 1.336(11) . ?
C130 F10 1.366(13) . ?
C130 F12 1.422(11) . ?
C131 C132 1.474(13) . ?
C131 H13A 0.9800 . ?
C131 H13B 0.9800 . ?
C131 H13C 0.9800 . ?
C132 O21 1.437(11) . ?
C132 H13D 0.9900 . ?
C132 H13E 0.9900 . ?
C133 C134 1.454(14) . ?
C133 O21 1.521(11) . ?
C133 H13F 0.9900 . ?
C133 H13G 0.9900 . ?
C134 H13H 0.9800 . ?
C134 H13I 0.9800 . ?
C134 H13J 0.9800 . ?
C135 N5 1.103(13) . ?
C135 C136 1.423(15) . ?
C136 H13K 0.9800 . ?
C136 H13L 0.9800 . ?
C136 H13M 0.9800 . ?
C137 O22 1.391(9) . ?
C137 H13N 0.9800 . ?
C137 H13O 0.9800 . ?
C137 H13P 0.9800 . ?
O22 H22 0.93(5) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O22 H22 O17' 0.93(5) 2.14(7) 3.01(3) 157(10) .
O22 H22 O17 0.93(5) 1.83(6) 2.703(14) 156(10) .
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
Rh1 O1 C1 C2 -22.1(6) . . . . ?
Rh1 O1 C1 C18 158.8(3) . . . . ?
O1 C1 C2 C3 5.7(6) . . . . ?
C18 C1 C2 C3 -175.3(4) . . . . ?
O1 C1 C2 C11 -171.8(4) . . . . ?
C18 C1 C2 C11 7.3(6) . . . . ?
Rh1 O2 C3 C2 -6.5(6) . . . . ?
Rh1 O2 C3 C4 174.0(3) . . . . ?
C1 C2 C3 O2 9.4(6) . . . . ?
C11 C2 C3 O2 -173.1(4) . . . . ?
C1 C2 C3 C4 -171.1(4) . . . . ?
C11 C2 C3 C4 6.4(6) . . . . ?
O2 C3 C4 C9 177.4(4) . . . . ?
C2 C3 C4 C9 -2.1(6) . . . . ?
O2 C3 C4 C5 -3.3(6) . . . . ?
C2 C3 C4 C5 177.1(4) . . . . ?
C9 C4 C5 C6 1.4(7) . . . . ?
C3 C4 C5 C6 -177.9(4) . . . . ?
C4 C5 C6 C7 -0.5(8) . . . . ?
C5 C6 C7 C8 -0.5(8) . . . . ?
C6 C7 C8 C9 0.5(8) . . . . ?
C5 C4 C9 C8 -1.3(6) . . . . ?
C3 C4 C9 C8 177.9(4) . . . . ?
C5 C4 C9 C10 178.4(4) . . . . ?
C3 C4 C9 C10 -2.4(6) . . . . ?
C7 C8 C9 C4 0.4(7) . . . . ?
C7 C8 C9 C10 -179.3(4) . . . . ?
Rh2 O3 C10 C11 8.6(6) . . . . ?
Rh2 O3 C10 C9 -170.7(3) . . . . ?
C4 C9 C10 O3 -178.2(4) . . . . ?
C8 C9 C10 O3 1.5(6) . . . . ?
C4 C9 C10 C11 2.5(6) . . . . ?
C8 C9 C10 C11 -177.8(4) . . . . ?
O3 C10 C11 C12 2.5(6) . . . . ?
C9 C10 C11 C12 -178.3(4) . . . . ?
O3 C10 C11 C2 -177.4(4) . . . . ?
C9 C10 C11 C2 1.8(6) . . . . ?
C3 C2 C11 C12 173.9(4) . . . . ?
C1 C2 C11 C12 -8.6(6) . . . . ?
C3 C2 C11 C10 -6.3(6) . . . . ?
C1 C2 C11 C10 171.2(3) . . . . ?
Rh2 O4 C12 C11 -24.3(6) . . . . ?
Rh2 O4 C12 C13 156.9(3) . . . . ?
C10 C11 C12 O4 5.9(6) . . . . ?
C2 C11 C12 O4 -174.2(4) . . . . ?
C10 C11 C12 C13 -175.4(4) . . . . ?
C2 C11 C12 C13 4.4(6) . . . . ?
O4 C12 C13 C18 179.9(4) . . . . ?
C11 C12 C13 C18 1.0(6) . . . . ?
O4 C12 C13 C14 -0.3(6) . . . . ?
C11 C12 C13 C14 -179.1(4) . . . . ?
C18 C13 C14 C15 -0.4(8) . . . . ?
C12 C13 C14 C15 179.8(5) . . . . ?
C13 C14 C15 C16 0.1(10) . . . . ?
C14 C15 C16 C17 0.1(10) . . . . ?
C15 C16 C17 C18 0.0(9) . . . . ?
C14 C13 C18 C17 0.5(7) . . . . ?
C12 C13 C18 C17 -179.6(4) . . . . ?
C14 C13 C18 C1 177.8(4) . . . . ?
C12 C13 C18 C1 -2.4(6) . . . . ?
C16 C17 C18 C13 -0.3(7) . . . . ?
C16 C17 C18 C1 -177.6(5) . . . . ?
O1 C1 C18 C13 177.3(4) . . . . ?
C2 C1 C18 C13 -1.9(6) . . . . ?
O1 C1 C18 C17 -5.5(6) . . . . ?
C2 C1 C18 C17 175.3(4) . . . . ?
C23 N1 C19 C20 0.8(7) . . . . ?
Rh1 N1 C19 C20 -175.6(3) . . . . ?
N1 C19 C20 C21 -0.5(7) . . . . ?
C19 C20 C21 C22 -0.7(7) . . . . ?
C19 C20 C21 C24 179.3(4) . . . . ?
C20 C21 C22 C23 1.7(7) . . . . ?
C24 C21 C22 C23 -178.3(4) . . . . ?
C19 N1 C23 C22 0.2(7) . . . . ?
Rh1 N1 C23 C22 176.7(4) . . . . ?
C21 C22 C23 N1 -1.5(8) . . . . ?
C20 C21 C24 C36 -150.0(4) . . . . ?
C22 C21 C24 C36 30.0(6) . . . . ?
C20 C21 C24 C25 30.4(6) . . . . ?
C22 C21 C24 C25 -149.6(4) . . . . ?
C36 C24 C25 C26 -1.4(6) . . . . ?
C21 C24 C25 C26 178.2(4) . . . . ?
C24 C25 C26 C34 0.9(6) . . . . ?
C24 C25 C26 C27 -178.3(4) . . . . ?
C25 C26 C27 C28 177.4(4) . . . . ?
C34 C26 C27 C28 -1.9(4) . . . . ?
C25 C26 C27 C43 57.9(5) . . . . ?
C34 C26 C27 C43 -121.4(4) . . . . ?
C25 C26 C27 C42 -64.5(5) . . . . ?
C34 C26 C27 C42 116.2(4) . . . . ?
C26 C27 C28 C29 -179.4(4) . . . . ?
C43 C27 C28 C29 -60.8(5) . . . . ?
C42 C27 C28 C29 63.0(5) . . . . ?
C26 C27 C28 C33 2.2(4) . . . . ?
C43 C27 C28 C33 120.8(4) . . . . ?
C42 C27 C28 C33 -115.4(4) . . . . ?
C33 C28 C29 C30 -0.6(6) . . . . ?
C27 C28 C29 C30 -178.9(4) . . . . ?
C28 C29 C30 C31 0.0(6) . . . . ?
C28 C29 C30 C39 178.5(4) . . . . ?
C29 C30 C31 C32 1.1(6) . . . . ?
C39 C30 C31 C32 -177.4(4) . . . . ?
C30 C31 C32 C33 -1.6(6) . . . . ?
C31 C32 C33 C28 1.0(6) . . . . ?
C31 C32 C33 C34 -178.5(4) . . . . ?
C29 C28 C33 C32 0.1(6) . . . . ?
C27 C28 C33 C32 178.7(4) . . . . ?
C29 C28 C33 C34 179.7(4) . . . . ?
C27 C28 C33 C34 -1.7(5) . . . . ?
C25 C26 C34 C35 0.5(6) . . . . ?
C27 C26 C34 C35 179.8(4) . . . . ?
C25 C26 C34 C33 -178.3(4) . . . . ?
C27 C26 C34 C33 1.0(5) . . . . ?
C32 C33 C34 C35 1.4(8) . . . . ?
C28 C33 C34 C35 -178.2(4) . . . . ?
C32 C33 C34 C26 180.0(4) . . . . ?
C28 C33 C34 C26 0.4(5) . . . . ?
C26 C34 C35 C36 -1.3(7) . . . . ?
C33 C34 C35 C36 177.2(4) . . . . ?
C34 C35 C36 C24 0.7(7) . . . . ?
C25 C24 C36 C35 0.6(7) . . . . ?
C21 C24 C36 C35 -179.0(4) . . . . ?
C41 N2 C37 C38 1.0(7) . . . . ?
Rh2 N2 C37 C38 -179.9(3) 2_677 . . . ?
N2 C37 C38 C39 0.2(7) . . . . ?
C37 C38 C39 C40 -1.0(6) . . . . ?
C37 C38 C39 C30 178.4(4) . . . . ?
C29 C30 C39 C38 -26.3(6) . . . . ?
C31 C30 C39 C38 152.2(4) . . . . ?
C29 C30 C39 C40 153.2(4) . . . . ?
C31 C30 C39 C40 -28.4(6) . . . . ?
C38 C39 C40 C41 0.6(6) . . . . ?
C30 C39 C40 C41 -178.9(4) . . . . ?
C37 N2 C41 C40 -1.5(7) . . . . ?
Rh2 N2 C41 C40 179.5(3) 2_677 . . . ?
C39 C40 C41 N2 0.7(7) . . . . ?
C48 C44 C45 C46 -0.3(5) . . . . ?
C49 C44 C45 C46 -179.8(5) . . . . ?
Rh1 C44 C45 C46 60.3(3) . . . . ?
C48 C44 C45 C50 -178.0(4) . . . . ?
C49 C44 C45 C50 2.5(8) . . . . ?
Rh1 C44 C45 C50 -117.4(4) . . . . ?
C48 C44 C45 Rh1 -60.6(3) . . . . ?
C49 C44 C45 Rh1 119.9(5) . . . . ?
C44 C45 C46 C47 1.2(5) . . . . ?
C50 C45 C46 C47 178.8(4) . . . . ?
Rh1 C45 C46 C47 61.8(3) . . . . ?
C44 C45 C46 C51 178.3(4) . . . . ?
C50 C45 C46 C51 -4.0(7) . . . . ?
Rh1 C45 C46 C51 -121.0(5) . . . . ?
C44 C45 C46 Rh1 -60.6(3) . . . . ?
C50 C45 C46 Rh1 117.1(4) . . . . ?
C45 C46 C47 C48 -1.7(5) . . . . ?
C51 C46 C47 C48 -178.8(4) . . . . ?
Rh1 C46 C47 C48 60.1(3) . . . . ?
C45 C46 C47 C52 -178.0(4) . . . . ?
C51 C46 C47 C52 4.8(8) . . . . ?
Rh1 C46 C47 C52 -116.3(5) . . . . ?
C45 C46 C47 Rh1 -61.7(3) . . . . ?
C51 C46 C47 Rh1 121.1(5) . . . . ?
C46 C47 C48 C44 1.5(5) . . . . ?
C52 C47 C48 C44 177.8(4) . . . . ?
Rh1 C47 C48 C44 61.0(3) . . . . ?
C46 C47 C48 C53 177.8(5) . . . . ?
C52 C47 C48 C53 -5.8(8) . . . . ?
Rh1 C47 C48 C53 -122.7(5) . . . . ?
C46 C47 C48 Rh1 -59.5(3) . . . . ?
C52 C47 C48 Rh1 116.9(5) . . . . ?
C45 C44 C48 C47 -0.8(5) . . . . ?
C49 C44 C48 C47 178.7(5) . . . . ?
Rh1 C44 C48 C47 -61.4(3) . . . . ?
C45 C44 C48 C53 -177.2(4) . . . . ?
C49 C44 C48 C53 2.3(8) . . . . ?
Rh1 C44 C48 C53 122.2(5) . . . . ?
C45 C44 C48 Rh1 60.6(3) . . . . ?
C49 C44 C48 Rh1 -119.9(5) . . . . ?
C58 C54 C55 C56 -1.6(5) . . . . ?
C59 C54 C55 C56 178.3(4) . . . . ?
Rh2 C54 C55 C56 60.6(3) . . . . ?
C58 C54 C55 C60 179.8(4) . . . . ?
C59 C54 C55 C60 -0.3(7) . . . . ?
Rh2 C54 C55 C60 -118.0(5) . . . . ?
C58 C54 C55 Rh2 -62.2(3) . . . . ?
C59 C54 C55 Rh2 117.7(5) . . . . ?
C54 C55 C56 C57 0.1(5) . . . . ?
C60 C55 C56 C57 178.7(4) . . . . ?
Rh2 C55 C56 C57 60.0(3) . . . . ?
C54 C55 C56 C61 178.5(5) . . . . ?
C60 C55 C56 C61 -2.9(8) . . . . ?
Rh2 C55 C56 C61 -121.6(5) . . . . ?
C54 C55 C56 Rh2 -59.9(3) . . . . ?
C60 C55 C56 Rh2 118.7(5) . . . . ?
C55 C56 C57 C58 1.4(5) . . . . ?
C61 C56 C57 C58 -177.0(5) . . . . ?
Rh2 C56 C57 C58 61.6(3) . . . . ?
C55 C56 C57 C62 177.3(4) . . . . ?
C61 C56 C57 C62 -1.1(8) . . . . ?
Rh2 C56 C57 C62 -122.5(5) . . . . ?
C55 C56 C57 Rh2 -60.2(3) . . . . ?
C61 C56 C57 Rh2 121.4(5) . . . . ?
C56 C57 C58 C54 -2.4(5) . . . . ?
C62 C57 C58 C54 -178.2(4) . . . . ?
Rh2 C57 C58 C54 58.9(3) . . . . ?
C56 C57 C58 C63 -179.1(4) . . . . ?
C62 C57 C58 C63 5.2(8) . . . . ?
Rh2 C57 C58 C63 -117.8(5) . . . . ?
C56 C57 C58 Rh2 -61.3(3) . . . . ?
C62 C57 C58 Rh2 122.9(5) . . . . ?
C55 C54 C58 C57 2.5(5) . . . . ?
C59 C54 C58 C57 -177.4(4) . . . . ?
Rh2 C54 C58 C57 -59.4(3) . . . . ?
C55 C54 C58 C63 179.2(4) . . . . ?
C59 C54 C58 C63 -0.7(7) . . . . ?
Rh2 C54 C58 C63 117.3(5) . . . . ?
C55 C54 C58 Rh2 61.9(3) . . . . ?
C59 C54 C58 Rh2 -118.0(5) . . . . ?
Rh3 O5 C64 C65 -8.7(6) . . . . ?
Rh3 O5 C64 C81 171.5(3) . . . . ?
O5 C64 C65 C66 1.6(6) . . . . ?
C81 C64 C65 C66 -178.6(3) . . . . ?
O5 C64 C65 C74 -178.8(4) . . . . ?
C81 C64 C65 C74 1.0(5) . . . . ?
Rh3 O6 C66 C65 3.1(6) . . . . ?
Rh3 O6 C66 C67 -177.3(2) . . . . ?
C64 C65 C66 O6 1.2(6) . . . . ?
C74 C65 C66 O6 -178.3(4) . . . . ?
C64 C65 C66 C67 -178.3(3) . . . . ?
C74 C65 C66 C67 2.1(5) . . . . ?
O6 C66 C67 C72 -179.2(3) . . . . ?
C65 C66 C67 C72 0.4(5) . . . . ?
O6 C66 C67 C68 1.2(5) . . . . ?
C65 C66 C67 C68 -179.2(4) . . . . ?
C72 C67 C68 C69 0.4(6) . . . . ?
C66 C67 C68 C69 180.0(4) . . . . ?
C67 C68 C69 C70 -0.3(7) . . . . ?
C68 C69 C70 C71 -0.4(7) . . . . ?
C69 C70 C71 C72 1.1(7) . . . . ?
C68 C67 C72 C71 0.2(6) . . . . ?
C66 C67 C72 C71 -179.4(4) . . . . ?
C68 C67 C72 C73 179.5(4) . . . . ?
C66 C67 C72 C73 -0.1(5) . . . . ?
C70 C71 C72 C67 -0.9(6) . . . . ?
C70 C71 C72 C73 179.8(4) . . . . ?
Rh4 O7 C73 C74 -17.3(6) . . . . ?
Rh4 O7 C73 C72 163.8(2) . . . . ?
C67 C72 C73 O7 176.2(3) . . . . ?
C71 C72 C73 O7 -4.5(5) . . . . ?
C67 C72 C73 C74 -2.8(5) . . . . ?
C71 C72 C73 C74 176.5(3) . . . . ?
O7 C73 C74 C75 6.8(6) . . . . ?
C72 C73 C74 C75 -174.3(3) . . . . ?
O7 C73 C74 C65 -173.6(4) . . . . ?
C72 C73 C74 C65 5.3(5) . . . . ?
C66 C65 C74 C75 174.6(3) . . . . ?
C64 C65 C74 C75 -5.0(5) . . . . ?
C66 C65 C74 C73 -5.0(5) . . . . ?
C64 C65 C74 C73 175.4(3) . . . . ?
Rh4 O8 C75 C74 -8.9(6) . . . . ?
Rh4 O8 C75 C76 172.3(3) . . . . ?
C73 C74 C75 O8 6.7(6) . . . . ?
C65 C74 C75 O8 -172.9(4) . . . . ?
C73 C74 C75 C76 -174.5(3) . . . . ?
C65 C74 C75 C76 5.9(5) . . . . ?
O8 C75 C76 C81 176.0(4) . . . . ?
C74 C75 C76 C81 -2.9(6) . . . . ?
O8 C75 C76 C77 -6.1(6) . . . . ?
C74 C75 C76 C77 174.9(4) . . . . ?
C81 C76 C77 C78 1.4(7) . . . . ?
C75 C76 C77 C78 -176.5(5) . . . . ?
C76 C77 C78 C79 -1.8(9) . . . . ?
C77 C78 C79 C80 1.0(9) . . . . ?
C78 C79 C80 C81 0.2(8) . . . . ?
C77 C76 C81 C80 -0.2(6) . . . . ?
C75 C76 C81 C80 177.7(4) . . . . ?
C77 C76 C81 C64 -179.0(4) . . . . ?
C75 C76 C81 C64 -1.1(6) . . . . ?
C79 C80 C81 C76 -0.6(7) . . . . ?
C79 C80 C81 C64 178.2(4) . . . . ?
O5 C64 C81 C76 -178.1(4) . . . . ?
C65 C64 C81 C76 2.0(6) . . . . ?
O5 C64 C81 C80 3.1(6) . . . . ?
C65 C64 C81 C80 -176.8(4) . . . . ?
C86 N3 C82 C83 -3.1(8) . . . . ?
Rh3 N3 C82 C83 174.6(4) . . . . ?
N3 C82 C83 C84 2.0(8) . . . . ?
C82 C83 C84 C85 -0.4(8) . . . . ?
C82 C83 C84 C87 -178.1(5) . . . . ?
C83 C84 C85 C86 0.0(7) . . . . ?
C87 C84 C85 C86 177.8(4) . . . . ?
C82 N3 C86 C85 2.8(7) . . . . ?
Rh3 N3 C86 C85 -174.9(4) . . . . ?
C84 C85 C86 N3 -1.3(8) . . . . ?
C85 C84 C87 C99 -144.0(5) . . . . ?
C83 C84 C87 C99 33.6(7) . . . . ?
C85 C84 C87 C88 35.8(7) . . . . ?
C83 C84 C87 C88 -146.6(5) . . . . ?
C99 C87 C88 C89 -1.8(7) . . . . ?
C84 C87 C88 C89 178.4(4) . . . . ?
C87 C88 C89 C97 1.8(7) . . . . ?
C87 C88 C89 C90 -178.6(4) . . . . ?
C88 C89 C90 C91 -178.2(4) . . . . ?
C97 C89 C90 C91 1.4(5) . . . . ?
C88 C89 C90 C105 -59.6(6) . . . . ?
C97 C89 C90 C105 120.0(4) . . . . ?
C88 C89 C90 C106 64.3(6) . . . . ?
C97 C89 C90 C106 -116.1(4) . . . . ?
C105 C90 C91 C92 60.2(6) . . . . ?
C89 C90 C91 C92 178.7(5) . . . . ?
C106 C90 C91 C92 -62.8(6) . . . . ?
C105 C90 C91 C96 -120.6(4) . . . . ?
C89 C90 C91 C96 -2.0(5) . . . . ?
C106 C90 C91 C96 116.4(4) . . . . ?
C96 C91 C92 C93 -1.0(7) . . . . ?
C90 C91 C92 C93 178.1(4) . . . . ?
C91 C92 C93 C94 0.6(7) . . . . ?
C91 C92 C93 C102 -179.9(4) . . . . ?
C92 C93 C94 C95 1.0(8) . . . . ?
C102 C93 C94 C95 -178.5(5) . . . . ?
C93 C94 C95 C96 -2.1(8) . . . . ?
C94 C95 C96 C91 1.6(8) . . . . ?
C94 C95 C96 C97 180.0(5) . . . . ?
C92 C91 C96 C95 -0.1(7) . . . . ?
C90 C91 C96 C95 -179.4(4) . . . . ?
C92 C91 C96 C97 -178.7(4) . . . . ?
C90 C91 C96 C97 2.0(5) . . . . ?
C88 C89 C97 C98 -0.6(7) . . . . ?
C90 C89 C97 C98 179.8(4) . . . . ?
C88 C89 C97 C96 179.3(4) . . . . ?
C90 C89 C97 C96 -0.4(5) . . . . ?
C95 C96 C97 C98 0.3(9) . . . . ?
C91 C96 C97 C98 178.9(5) . . . . ?
C95 C96 C97 C89 -179.5(5) . . . . ?
C91 C96 C97 C89 -1.0(5) . . . . ?
C89 C97 C98 C99 -0.6(7) . . . . ?
C96 C97 C98 C99 179.6(5) . . . . ?
C97 C98 C99 C87 0.6(8) . . . . ?
C88 C87 C99 C98 0.6(7) . . . . ?
C84 C87 C99 C98 -179.6(5) . . . . ?
C104 N4 C100 C101 -0.2(7) . . . . ?
Rh4 N4 C100 C101 178.9(3) 2_666 . . . ?
N4 C100 C101 C102 -0.4(7) . . . . ?
C100 C101 C102 C103 1.1(7) . . . . ?
C100 C101 C102 C93 -179.9(4) . . . . ?
C92 C93 C102 C101 -28.1(7) . . . . ?
C94 C93 C102 C101 151.4(5) . . . . ?
C92 C93 C102 C103 150.9(5) . . . . ?
C94 C93 C102 C103 -29.6(7) . . . . ?
C101 C102 C103 C104 -1.3(7) . . . . ?
C93 C102 C103 C104 179.7(5) . . . . ?
C100 N4 C104 C103 0.0(7) . . . . ?
Rh4 N4 C104 C103 -179.1(4) 2_666 . . . ?
C102 C103 C104 N4 0.8(8) . . . . ?
C111 C107 C108 C113 178.7(5) . . . . ?
C112 C107 C108 C113 -2.0(9) . . . . ?
Rh3 C107 C108 C113 -120.4(6) . . . . ?
C111 C107 C108 C109 1.7(5) . . . . ?
C112 C107 C108 C109 -178.9(5) . . . . ?
Rh3 C107 C108 C109 62.7(3) . . . . ?
C111 C107 C108 Rh3 -60.9(4) . . . . ?
C112 C107 C108 Rh3 118.4(5) . . . . ?
C107 C108 C109 C110 -2.3(6) . . . . ?
C113 C108 C109 C110 -178.9(6) . . . . ?
Rh3 C108 C109 C110 60.8(4) . . . . ?
C107 C108 C109 C114 176.4(5) . . . . ?
C113 C108 C109 C114 -0.3(9) . . . . ?
Rh3 C108 C109 C114 -120.5(5) . . . . ?
C107 C108 C109 Rh3 -63.1(3) . . . . ?
C113 C108 C109 Rh3 120.2(7) . . . . ?
C108 C109 C110 C111 2.0(6) . . . . ?
C114 C109 C110 C111 -176.5(6) . . . . ?
Rh3 C109 C110 C111 61.0(4) . . . . ?
C108 C109 C110 C115 -176.3(5) . . . . ?
C114 C109 C110 C115 5.2(10) . . . . ?
Rh3 C109 C110 C115 -117.3(6) . . . . ?
C108 C109 C110 Rh3 -59.0(4) . . . . ?
C114 C109 C110 Rh3 122.5(6) . . . . ?
C109 C110 C111 C107 -0.9(6) . . . . ?
C115 C110 C111 C107 177.5(5) . . . . ?
Rh3 C110 C111 C107 59.7(4) . . . . ?
C109 C110 C111 C116 179.1(5) . . . . ?
C115 C110 C111 C116 -2.5(9) . . . . ?
Rh3 C110 C111 C116 -120.3(6) . . . . ?
C109 C110 C111 Rh3 -60.6(4) . . . . ?
C115 C110 C111 Rh3 117.8(6) . . . . ?
C108 C107 C111 C110 -0.6(6) . . . . ?
C112 C107 C111 C110 -180.0(5) . . . . ?
Rh3 C107 C111 C110 -60.5(4) . . . . ?
C108 C107 C111 C116 179.4(5) . . . . ?
C112 C107 C111 C116 0.0(9) . . . . ?
Rh3 C107 C111 C116 119.5(6) . . . . ?
C108 C107 C111 Rh3 59.9(3) . . . . ?
C112 C107 C111 Rh3 -119.4(5) . . . . ?
C121 C117 C118 C119 -2.4(6) . . . . ?
C122 C117 C118 C119 -177.2(5) . . . . ?
Rh4 C117 C118 C119 60.2(4) . . . . ?
C121 C117 C118 C123 176.1(5) . . . . ?
C122 C117 C118 C123 1.2(9) . . . . ?
Rh4 C117 C118 C123 -121.3(6) . . . . ?
C121 C117 C118 Rh4 -62.7(3) . . . . ?
C122 C117 C118 Rh4 122.5(6) . . . . ?
C117 C118 C119 C120 1.3(6) . . . . ?
C123 C118 C119 C120 -177.2(5) . . . . ?
Rh4 C118 C119 C120 60.9(3) . . . . ?
C117 C118 C119 C124 -178.3(5) . . . . ?
C123 C118 C119 C124 3.2(9) . . . . ?
Rh4 C118 C119 C124 -118.6(6) . . . . ?
C117 C118 C119 Rh4 -59.7(4) . . . . ?
C123 C118 C119 Rh4 121.8(5) . . . . ?
C118 C119 C120 C121 0.4(6) . . . . ?
C124 C119 C120 C121 -180.0(5) . . . . ?
Rh4 C119 C120 C121 61.6(3) . . . . ?
C118 C119 C120 C125 178.5(5) . . . . ?
C124 C119 C120 C125 -1.9(9) . . . . ?
Rh4 C119 C120 C125 -120.3(6) . . . . ?
C118 C119 C120 Rh4 -61.2(4) . . . . ?
C124 C119 C120 Rh4 118.4(5) . . . . ?
C119 C120 C121 C117 -1.9(6) . . . . ?
C125 C120 C121 C117 180.0(5) . . . . ?
Rh4 C120 C121 C117 59.3(3) . . . . ?
C119 C120 C121 C126 -179.2(5) . . . . ?
C125 C120 C121 C126 2.7(9) . . . . ?
Rh4 C120 C121 C126 -117.9(5) . . . . ?
C119 C120 C121 Rh4 -61.2(4) . . . . ?
C125 C120 C121 Rh4 120.7(6) . . . . ?
C118 C117 C121 C120 2.7(6) . . . . ?
C122 C117 C121 C120 177.5(5) . . . . ?
Rh4 C117 C121 C120 -59.9(4) . . . . ?
C118 C117 C121 C126 -179.9(5) . . . . ?
C122 C117 C121 C126 -5.1(8) . . . . ?
Rh4 C117 C121 C126 117.4(5) . . . . ?
C118 C117 C121 Rh4 62.6(3) . . . . ?
C122 C117 C121 Rh4 -122.6(6) . . . . ?
O11 S1 C127 F1 55.8(7) . . . . ?
O10 S1 C127 F1 -66.3(6) . . . . ?
O9 S1 C127 F1 177.6(5) . . . . ?
O11 S1 C127 F2 -169.6(7) . . . . ?
O10 S1 C127 F2 68.4(7) . . . . ?
O9 S1 C127 F2 -47.8(7) . . . . ?
O11 S1 C127 F3 -58.2(7) . . . . ?
O10 S1 C127 F3 179.8(5) . . . . ?
O9 S1 C127 F3 63.6(6) . . . . ?
O12 S2 C128 F5 -59.5(7) . . . . ?
O13 S2 C128 F5 60.1(7) . . . . ?
O14 S2 C128 F5 -178.8(6) . . . . ?
O12 S2 C128 F6 62.8(7) . . . . ?
O13 S2 C128 F6 -177.6(6) . . . . ?
O14 S2 C128 F6 -56.5(7) . . . . ?
O12 S2 C128 F4 -177.7(5) . . . . ?
O13 S2 C128 F4 -58.1(6) . . . . ?
O14 S2 C128 F4 63.0(5) . . . . ?
O17 S3 C129 F8 -165(2) . . . . ?
O15 S3 C129 F8 -42(3) . . . . ?
O16 S3 C129 F8 72(2) . . . . ?
O17 S3 C129 F9 -54.5(13) . . . . ?
O15 S3 C129 F9 68.5(18) . . . . ?
O16 S3 C129 F9 -176.9(13) . . . . ?
O17 S3 C129 F7 54.6(19) . . . . ?
O15 S3 C129 F7 177.6(19) . . . . ?
O16 S3 C129 F7 -67.8(19) . . . . ?
O16' S3' C229 F8' 53(2) . . . . ?
O17' S3' C229 F8' 175(3) . . . . ?
O15' S3' C229 F8' -61(3) . . . . ?
O16' S3' C229 F9' 170(3) . . . . ?
O17' S3' C229 F9' -68(3) . . . . ?
O15' S3' C229 F9' 56(3) . . . . ?
O16' S3' C229 F7' -64(3) . . . . ?
O17' S3' C229 F7' 58(3) . . . . ?
O15' S3' C229 F7' -178(3) . . . . ?
O18 S4 O19 O20 -150(2) . . . 2_777 ?
O20 S4 O19 O20 -24(3) . . . 2_777 ?
C130 S4 O19 O20 99(2) . . . 2_777 ?
O19 S4 O19 O20 -15.3(18) 2_777 . . 2_777 ?
O18 S4 O19 S4 -134.8(7) . . . 2_777 ?
O20 S4 O19 S4 -8.8(9) . . . 2_777 ?
C130 S4 O19 S4 114.2(7) . . . 2_777 ?
O19 S4 O19 S4 0.000(1) 2_777 . . 2_777 ?
O18 S4 O20 O19 144.8(7) . . . 2_777 ?
O19 S4 O20 O19 10.7(11) . . . 2_777 ?
C130 S4 O20 O19 -112.2(7) . . . 2_777 ?
O18 S4 C130 F11 60.0(12) . . . . ?
O20 S4 C130 F11 -48.1(14) . . . . ?
O19 S4 C130 F11 -174.0(11) . . . . ?
O19 S4 C130 F11 -100.9(12) 2_777 . . . ?
O18 S4 C130 F10 -71.1(11) . . . . ?
O20 S4 C130 F10 -179.2(11) . . . . ?
O19 S4 C130 F10 54.9(12) . . . . ?
O19 S4 C130 F10 128.0(10) 2_777 . . . ?
O18 S4 C130 F12 177.4(10) . . . . ?
O20 S4 C130 F12 69.3(11) . . . . ?
O19 S4 C130 F12 -56.6(11) . . . . ?
O19 S4 C130 F12 16.6(11) 2_777 . . . ?
C131 C132 O21 C133 -170.4(8) . . . . ?
C134 C133 O21 C132 177.9(9) . . . . ?
