#------------------------------------------------------------------------------
#$Date: 2021-10-06 16:51:40 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269630 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/89/7128915.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_7128915
loop_
_publ_author_name
'Wang, Qi-Li-Sha'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 Same knot, longer rope: altering ligand geometry provides control over
 nuclearity in self-assembled trefoil knots.
;
_journal_issue                   76
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9772
_journal_page_last               9775
_journal_paper_doi               10.1039/d1cc03699h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C194 H240 F18 N18 O52 Rh6 S6'
_chemical_formula_weight         4807.85
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2021-05-31 deposited with the CCDC.	2021-08-30 downloaded from the CCDC.
;
_cell_angle_alpha                119.776(2)
_cell_angle_beta                 98.285(2)
_cell_angle_gamma                91.895(2)
_cell_formula_units_Z            2
_cell_length_a                   23.6578(11)
_cell_length_b                   23.6790(11)
_cell_length_c                   23.8109(11)
_cell_measurement_reflns_used    9856
_cell_measurement_temperature    154(2)
_cell_measurement_theta_max      54.88
_cell_measurement_theta_min      3.26
_cell_volume                     11371.5(9)
_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      154(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.991
_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  0.0873
_diffrn_reflns_av_unetI/netI     0.0717
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            157195
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         55.042
_diffrn_reflns_theta_min         3.249
_exptl_absorpt_coefficient_mu    3.174
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_correction_T_min  0.493
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_description       block
_exptl_crystal_F_000             4948
_exptl_crystal_size_max          0.180
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.944
_refine_diff_density_min         -1.217
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2600
_refine_ls_number_reflns         43046
_refine_ls_number_restraints     599
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1039
_refine_ls_R_factor_gt           0.0810
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0783P)²+50.1665P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2032
_refine_ls_wR_factor_ref         0.2139
_reflns_Friedel_coverage         0.000
_reflns_number_gt                31848
_reflns_number_total             43046
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc03699h2.cif
_cod_data_source_block           platon_sq_CCDC3
_cod_depositor_comments
'Adding full bibliography for 7128912--7128915.cif.'
_cod_database_code               7128915
_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   0.599
_shelx_estimated_absorpt_t_max   0.832
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 0.70136(2) 0.24053(3) 0.62623(3) 0.04644(14) Uani 1 1 d . . . . .
Rh2 Rh 0.83754(2) 0.08479(3) 0.45280(3) 0.05187(15) Uani 1 1 d . . . . .
Rh3 Rh 0.70363(2) 0.86570(2) 0.65758(3) 0.04693(14) Uani 1 1 d . . . . .
Rh4 Rh 0.84320(13) 0.86174(18) 0.85982(11) 0.0336(5) Uani 0.612(16) 1 d . U P A
1
C145 C 0.9011(7) 0.9008(7) 0.9519(7) 0.042(3) Uani 0.612(16) 1 d D U P A 1
C146 C 0.9053(6) 0.9454(6) 0.9307(6) 0.039(3) Uani 0.612(16) 1 d D U P A 1
C147 C 0.8461(6) 0.9642(6) 0.9279(5) 0.049(3) Uani 0.612(16) 1 d D U P A 1
C148 C 0.8111(6) 0.9304(8) 0.9475(6) 0.053(4) Uani 0.612(16) 1 d D U P A 1
C149 C 0.8437(7) 0.8877(8) 0.9595(7) 0.053(4) Uani 0.612(16) 1 d . U P A 1
C150 C 0.9506(10) 0.8667(10) 0.9675(11) 0.071(6) Uani 0.612(16) 1 d . U P A 1
H15A H 0.961891 0.886752 1.015341 0.107 Uiso 0.612(16) 1 calc R U P A 1
H15B H 0.983595 0.871882 0.949215 0.107 Uiso 0.612(16) 1 calc R U P A 1
H15C H 0.937532 0.820003 0.947901 0.107 Uiso 0.612(16) 1 calc R U P A 1
C151 C 0.9571(7) 0.9714(9) 0.9208(8) 0.057(4) Uani 0.612(16) 1 d D U P A 1
H15D H 0.948600 0.973200 0.880251 0.086 Uiso 0.612(16) 1 calc R U P A 1
H15E H 0.987160 0.942835 0.917153 0.086 Uiso 0.612(16) 1 calc R U P A 1
H15F H 0.970477 1.015556 0.958241 0.086 Uiso 0.612(16) 1 calc R U P A 1
C152 C 0.8324(8) 1.0163(7) 0.9098(8) 0.078(6) Uani 0.612(16) 1 d . U P A 1
H15G H 0.851150 1.059280 0.945689 0.117 Uiso 0.612(16) 1 calc R U P A 1
H15H H 0.790686 1.017089 0.902620 0.117 Uiso 0.612(16) 1 calc R U P A 1
H15I H 0.846607 1.005893 0.869440 0.117 Uiso 0.612(16) 1 calc R U P A 1
C153 C 0.7490(6) 0.9400(8) 0.9533(6) 0.072(5) Uani 0.612(16) 1 d . U P A 1
H15J H 0.727725 0.898763 0.942875 0.107 Uiso 0.612(16) 1 calc R U P A 1
H15K H 0.732034 0.953489 0.922388 0.107 Uiso 0.612(16) 1 calc R U P A 1
H15L H 0.746986 0.973999 0.998306 0.107 Uiso 0.612(16) 1 calc R U P A 1
C154 C 0.8241(9) 0.8451(10) 0.9838(9) 0.084(6) Uani 0.612(16) 1 d . U P A 1
H15M H 0.781998 0.839755 0.976833 0.125 Uiso 0.612(16) 1 calc R U P A 1
H15N H 0.839856 0.865246 1.030903 0.125 Uiso 0.612(16) 1 calc R U P A 1
H15O H 0.837585 0.802108 0.959751 0.125 Uiso 0.612(16) 1 calc R U P A 1
Rh4' Rh 0.8384(2) 0.8441(5) 0.8632(3) 0.0563(13) Uani 0.388(16) 1 d . U P A 2
C245 C 0.9025(6) 0.8804(8) 0.9512(7) 0.040(5) Uani 0.388(16) 1 d G U P A 2
C246 C 0.8932(6) 0.9322(7) 0.9396(7) 0.046(6) Uani 0.388(16) 1 d G U P A 2
C247 C 0.8354(5) 0.9427(8) 0.9414(6) 0.079(11) Uani 0.388(16) 1 d G U P A 2
C248 C 0.8090(5) 0.8974(8) 0.9541(6) 0.072(8) Uani 0.388(16) 1 d G U P A 2
C249 C 0.8505(6) 0.8589(8) 0.9602(6) 0.065(8) Uani 0.388(16) 1 d G U P A 2
C250 C 0.9581(9) 0.8531(10) 0.9536(11) 0.067(10) Uani 0.388(16) 1 d G U P A 2
H25A H 0.984512 0.868148 0.934354 0.100 Uiso 0.388(16) 1 calc R U P A 2
H25B H 0.951108 0.805085 0.928611 0.100 Uiso 0.388(16) 1 calc R U P A 2
H25C H 0.975080 0.868006 0.999503 0.100 Uiso 0.388(16) 1 calc R U P A 2
C251 C 0.9371(8) 0.9695(10) 0.9275(11) 0.065(9) Uani 0.388(16) 1 d G U P A 2
H25D H 0.938210 1.016509 0.958517 0.098 Uiso 0.388(16) 1 calc R U P A 2
H25E H 0.926877 0.960833 0.882345 0.098 Uiso 0.388(16) 1 calc R U P A 2
H25F H 0.974931 0.955731 0.933768 0.098 Uiso 0.388(16) 1 calc R U P A 2
C252 C 0.8070(8) 0.9931(10) 0.9316(10) 0.096(11) Uani 0.388(16) 1 d G U P A 2
H25G H 0.819621 1.036470 0.970617 0.144 Uiso 0.388(16) 1 calc R U P A 2
H25H H 0.765122 0.983381 0.924580 0.144 Uiso 0.388(16) 1 calc R U P A 2
H25I H 0.817486 0.992564 0.892987 0.144 Uiso 0.388(16) 1 calc R U P A 2
C253 C 0.7476(7) 0.8912(11) 0.9602(9) 0.086(9) Uani 0.388(16) 1 d G U P A 2
H25J H 0.733180 0.844827 0.940425 0.129 Uiso 0.388(16) 1 calc R U P A 2
H25K H 0.724738 0.910008 0.937215 0.129 Uiso 0.388(16) 1 calc R U P A 2
H25L H 0.744446 0.914785 1.006771 0.129 Uiso 0.388(16) 1 calc R U P A 2
C254 C 0.8410(9) 0.8047(11) 0.9738(10) 0.095(10) Uani 0.388(16) 1 d G U P A 2
H25M H 0.865492 0.770844 0.951282 0.142 Uiso 0.388(16) 1 calc R U P A 2
H25N H 0.800499 0.785681 0.957695 0.142 Uiso 0.388(16) 1 calc R U P A 2
H25O H 0.850621 0.821904 1.021315 0.142 Uiso 0.388(16) 1 calc R U P A 2
Rh5 Rh 0.69441(2) 0.27163(3) 0.03263(2) 0.04639(13) Uani 1 1 d . . . . .
Rh6 Rh 0.83179(17) 0.4898(2) 0.0840(2) 0.0412(7) Uani 0.59(2) 1 d . U P B 1
C165 C 0.8897(7) 0.5493(9) 0.0672(9) 0.055(4) Uani 0.59(2) 1 d D U P B 1
C166 C 0.8929(7) 0.4836(8) 0.0222(7) 0.046(4) Uani 0.59(2) 1 d D U P B 1
C167 C 0.8338(6) 0.4564(8) -0.0172(7) 0.046(3) Uani 0.59(2) 1 d D U P B 1
C168 C 0.7976(7) 0.5062(9) 0.0060(8) 0.059(5) Uani 0.59(2) 1 d D U P B 1
C169 C 0.8313(8) 0.5637(9) 0.0591(9) 0.070(5) Uani 0.59(2) 1 d D U P B 1
C170 C 0.9417(9) 0.5963(11) 0.1141(11) 0.083(6) Uani 0.59(2) 1 d D U P B 1
H17A H 0.966814 0.573754 0.130927 0.124 Uiso 0.59(2) 1 calc R U P B 1
H17B H 0.929252 0.633631 0.150981 0.124 Uiso 0.59(2) 1 calc R U P B 1
H17C H 0.962831 0.611871 0.090974 0.124 Uiso 0.59(2) 1 calc R U P B 1
C171 C 0.9448(7) 0.4462(8) 0.0093(9) 0.054(4) Uani 0.59(2) 1 d D U P B 1
H17D H 0.959364 0.445837 -0.027374 0.081 Uiso 0.59(2) 1 calc R U P B 1
H17E H 0.933699 0.401088 -0.001905 0.081 Uiso 0.59(2) 1 calc R U P B 1
H17F H 0.974951 0.467594 0.048846 0.081 Uiso 0.59(2) 1 calc R U P B 1
C172 C 0.8199(8) 0.3873(10) -0.0725(8) 0.070(5) Uani 0.59(2) 1 d . U P B 1
H17G H 0.846505 0.378199 -0.103121 0.104 Uiso 0.59(2) 1 calc R U P B 1
H17H H 0.780315 0.380619 -0.095762 0.104 Uiso 0.59(2) 1 calc R U P B 1
H17I H 0.823551 0.357553 -0.055055 0.104 Uiso 0.59(2) 1 calc R U P B 1
C173 C 0.7359(8) 0.4952(12) -0.0262(10) 0.085(6) Uani 0.59(2) 1 d . U P B 1
H17J H 0.733824 0.486679 -0.071249 0.128 Uiso 0.59(2) 1 calc R U P B 1
H17K H 0.717320 0.534333 -0.001095 0.128 Uiso 0.59(2) 1 calc R U P B 1
H17L H 0.716076 0.457503 -0.027490 0.128 Uiso 0.59(2) 1 calc R U P B 1
C174 C 0.8138(12) 0.6296(12) 0.0942(15) 0.112(8) Uani 0.59(2) 1 d . U P B 1
H17M H 0.834078 0.652505 0.140092 0.168 Uiso 0.59(2) 1 calc R U P B 1
H17N H 0.772201 0.626176 0.093003 0.168 Uiso 0.59(2) 1 calc R U P B 1
H17O H 0.823455 0.654147 0.073030 0.168 Uiso 0.59(2) 1 calc R U P B 1
Rh6' Rh 0.8251(3) 0.5084(7) 0.0992(6) 0.0650(15) Uani 0.41(2) 1 d . U P B 2
C265 C 0.8846(7) 0.5732(10) 0.0874(9) 0.077(10) Uani 0.41(2) 1 d G U P B 2
C266 C 0.8819(6) 0.5095(10) 0.0344(8) 0.072(9) Uani 0.41(2) 1 d G U P B 2
C267 C 0.8253(6) 0.4896(10) -0.0003(8) 0.065(8) Uani 0.41(2) 1 d G U P B 2
C268 C 0.7929(6) 0.5410(11) 0.0312(10) 0.074(8) Uani 0.41(2) 1 d G U P B 2
C269 C 0.8296(7) 0.5927(10) 0.0854(11) 0.099(12) Uani 0.41(2) 1 d G U P B 2
C270 C 0.9367(9) 0.6132(12) 0.1370(12) 0.100(12) Uani 0.41(2) 1 d G U P B 2
H27A H 0.962551 0.584196 0.142701 0.151 Uiso 0.41(2) 1 calc R U P B 2
H27B H 0.925353 0.642865 0.179151 0.151 Uiso 0.41(2) 1 calc R U P B 2
H27C H 0.956430 0.638863 0.122076 0.151 Uiso 0.41(2) 1 calc R U P B 2
C271 C 0.9308(9) 0.4699(12) 0.0179(11) 0.067(8) Uani 0.41(2) 1 d G U P B 2
H27D H 0.917694 0.424490 0.004326 0.101 Uiso 0.41(2) 1 calc R U P B 2
H27E H 0.961666 0.488101 0.056587 0.101 Uiso 0.41(2) 1 calc R U P B 2
H27F H 0.945184 0.470938 -0.018230 0.101 Uiso 0.41(2) 1 calc R U P B 2
C272 C 0.8034(9) 0.4251(13) -0.0602(10) 0.107(12) Uani 0.41(2) 1 d G U P B 2
H27G H 0.803432 0.428786 -0.099469 0.160 Uiso 0.41(2) 1 calc R U P B 2
H27H H 0.764088 0.411728 -0.059279 0.160 Uiso 0.41(2) 1 calc R U P B 2
H27I H 0.828237 0.392370 -0.061484 0.160 Uiso 0.41(2) 1 calc R U P B 2
C273 C 0.7306(9) 0.5408(15) 0.0107(13) 0.118(12) Uani 0.41(2) 1 d G U P B 2
H27J H 0.714058 0.568716 0.049577 0.177 Uiso 0.41(2) 1 calc R U P B 2
H27K H 0.711141 0.495897 -0.011343 0.177 Uiso 0.41(2) 1 calc R U P B 2
H27L H 0.725328 0.557579 -0.019701 0.177 Uiso 0.41(2) 1 calc R U P B 2
C274 C 0.8129(10) 0.6570(12) 0.1326(16) 0.149(19) Uani 0.41(2) 1 d G U P B 2
H27M H 0.809127 0.684409 0.112468 0.224 Uiso 0.41(2) 1 calc R U P B 2
H27N H 0.842576 0.678842 0.172595 0.224 Uiso 0.41(2) 1 calc R U P B 2
H27O H 0.776078 0.650182 0.143960 0.224 Uiso 0.41(2) 1 calc R U P B 2
N1 N 0.6975(2) 0.1818(3) 0.5198(3) 0.0443(12) Uani 1 1 d . . . . .
N2 N 0.7916(2) 0.2340(3) 0.6234(3) 0.0509(14) Uani 1 1 d . . . . .
N3 N 0.8490(2) 0.1716(3) 0.5505(3) 0.0515(15) Uani 1 1 d . . . . .
N4 N 0.7535(2) 0.1166(3) 0.4498(3) 0.0452(13) Uani 1 1 d . . . . .
N5 N 0.7942(2) 0.8720(3) 0.6936(3) 0.0509(14) Uani 1 1 d . . . . .
N6 N 0.6991(2) 0.8189(3) 0.7169(3) 0.0469(13) Uani 1 1 d . . . . .
N7 N 0.7568(2) 0.8170(3) 0.8009(3) 0.0511(14) Uani 1 1 d . . . . .
N8 N 0.8518(2) 0.8668(3) 0.7760(3) 0.0493(14) Uani 1 1 d . . . . .
N9 N 0.7844(2) 0.3088(3) 0.0560(3) 0.0498(14) Uani 1 1 d . . . . .
N10 N 0.6889(2) 0.3772(3) 0.0778(3) 0.0481(13) Uani 1 1 d . . . . .
N11 N 0.7452(3) 0.4681(3) 0.0991(3) 0.0610(17) Uani 1 1 d . . . . .
N12 N 0.8406(3) 0.4006(3) 0.0800(3) 0.0565(16) Uani 1 1 d . . . . .
N13 N 0.8664(2) 0.1446(3) 0.4170(3) 0.0480(13) Uani 1 1 d . . . . .
N14 N 0.7079(2) 0.7762(3) 0.5707(3) 0.0446(13) Uani 1 1 d . . . . .
N15 N 0.8697(2) 0.7634(3) 0.8121(3) 0.0520(14) Uani 1 1 d . . . . .
N16 N 0.7014(2) 0.2763(3) 0.1246(3) 0.0423(12) Uani 1 1 d . . . . .
N17 N 0.8600(3) 0.5399(3) 0.1911(3) 0.0565(16) Uani 1 1 d . . . . .
N18 N 0.7086(2) 0.3310(3) 0.6280(3) 0.0435(12) Uani 1 1 d . . . . .
O1 O 0.89263(19) 0.2714(2) 0.3083(2) 0.0513(11) Uani 1 1 d . . . . .
O2 O 0.9843(2) 0.2735(3) 0.3504(4) 0.085(2) Uani 1 1 d . . . . .
O3 O 0.64962(19) 0.5736(2) 0.3534(2) 0.0503(11) Uani 1 1 d . . . . .
O4 O 0.7227(2) 0.6221(2) 0.3357(3) 0.0597(13) Uani 1 1 d . . . . .
O5 O 0.89799(19) 0.5298(2) 0.6978(2) 0.0489(11) Uani 1 1 d . . . . .
O6 O 0.9887(2) 0.5766(3) 0.7266(4) 0.096(2) Uani 1 1 d . . . . .
O7 O 0.65289(19) 0.2616(2) 0.3128(2) 0.0501(11) Uani 1 1 d . . . . .
O8 O 0.7260(2) 0.2008(3) 0.2878(3) 0.0597(13) Uani 1 1 d . . . . .
O9 O 0.89100(19) 0.6539(2) 0.4334(2) 0.0540(12) Uani 1 1 d . . . . .
O10 O 0.9816(2) 0.6452(4) 0.4164(3) 0.088(2) Uani 1 1 d . . . . .
O11 O 0.65512(19) 0.5322(2) 0.6327(3) 0.0527(12) Uani 1 1 d . . . . .
O12 O 0.7312(2) 0.5724(2) 0.7149(3) 0.0591(13) Uani 1 1 d . . . . .
O13 O 0.9494(3) 0.1596(3) 0.1696(4) 0.091(2) Uani 1 1 d . . . . .
O14 O 0.9055(3) 0.0897(4) 0.0568(3) 0.103(2) Uani 1 1 d . . . . .
O15 O 0.8473(3) 0.1553(4) 0.1366(4) 0.100(2) Uani 1 1 d . . . . .
O16 O 0.8530(3) 0.8101(5) 0.4767(6) 0.137(4) Uani 1 1 d . . . . .
O17 O 0.9532(3) 0.8155(4) 0.4751(5) 0.112(3) Uani 1 1 d . . . . .
O18 O 0.9072(4) 0.9113(4) 0.5056(5) 0.114(3) Uani 1 1 d . . . . .
O19 O 0.8578(3) 0.4710(5) 0.7939(4) 0.114(3) Uani 1 1 d . . . . .
O20 O 0.9599(3) 0.5042(4) 0.8305(3) 0.107(3) Uani 1 1 d . . . . .
O21 O 0.9094(4) 0.4564(5) 0.8791(4) 0.114(3) Uani 1 1 d . . . . .
O22 O 0.6433(3) 0.1186(5) 0.7643(4) 0.108(3) Uani 1 1 d . . . . .
O23 O 0.5824(4) 0.0371(4) 0.6681(4) 0.110(2) Uani 1 1 d . . . . .
O24 O 0.5623(4) 0.1506(5) 0.7130(5) 0.121(3) Uani 1 1 d . . . . .
S1 S 0.89746(8) 0.12272(11) 0.12370(11) 0.0729(6) Uani 1 1 d . . . . .
S2 S 0.90084(9) 0.84206(13) 0.46997(18) 0.0916(9) Uani 1 1 d . . . . .
S3 S 0.90617(9) 0.49181(16) 0.84571(12) 0.0872(8) Uani 1 1 d . . . . .
S4 S 0.59004(11) 0.10114(14) 0.72657(13) 0.0827(7) Uani 1 1 d . . . . .
F1 F 0.8807(3) 0.0769(4) 0.2003(3) 0.123(2) Uani 1 1 d . . . . .
F2 F 0.8364(2) 0.0168(3) 0.1005(3) 0.106(2) Uani 1 1 d . . . . .
F3 F 0.9264(3) 0.0176(3) 0.1242(4) 0.126(3) Uani 1 1 d . . . . .
F4 F 0.9301(3) 0.8547(4) 0.3745(5) 0.141(3) Uani 1 1 d . . . . .
F5 F 0.8840(4) 0.7613(4) 0.3422(5) 0.149(3) Uani 1 1 d . . . . .
F6 F 0.8391(3) 0.8454(3) 0.3718(4) 0.137(3) Uani 1 1 d . . . . .
F7 F 0.9364(4) 0.5960(5) 0.9617(4) 0.143(3) Uani 1 1 d . . . . .
F8 F 0.8921(4) 0.6130(4) 0.8874(4) 0.139(3) Uani 1 1 d . . . . .
F9 F 0.8460(3) 0.5697(5) 0.9289(4) 0.135(3) Uani 1 1 d . . . . .
F10 F 0.5392(3) 0.1488(4) 0.8265(3) 0.124(2) Uani 1 1 d . . . . .
F11 F 0.4900(3) 0.0681(4) 0.7419(4) 0.131(3) Uani 1 1 d . . . . .
F12 F 0.5616(4) 0.0531(5) 0.7959(5) 0.161(3) Uani 1 1 d . . . . .
C1 C 0.7480(3) 0.1604(3) 0.5110(3) 0.0412(14) Uani 1 1 d . . . . .
C2 C 0.7959(3) 0.1885(3) 0.5633(4) 0.0464(16) Uani 1 1 d . . . . .
C3 C 0.8485(3) 0.2529(4) 0.6558(4) 0.0562(19) Uani 1 1 d . . . . .
C4 C 0.8726(4) 0.3018(4) 0.7192(4) 0.068(2) Uani 1 1 d . . . . .
H4 H 0.849132 0.326889 0.749896 0.082 Uiso 1 1 calc R U . . .
C5 C 0.9318(4) 0.3126(6) 0.7363(6) 0.093(3) Uani 1 1 d . . . . .
H5 H 0.949310 0.345887 0.779542 0.111 Uiso 1 1 calc R U . . .
C6 C 0.9667(4) 0.2762(5) 0.6917(6) 0.085(3) Uani 1 1 d . . . . .
H6 H 1.007265 0.285755 0.705301 0.102 Uiso 1 1 calc R U . . .
C7 C 0.9439(3) 0.2262(4) 0.6280(5) 0.073(3) Uani 1 1 d . . . . .
H7 H 0.967737 0.201139 0.597825 0.088 Uiso 1 1 calc R U . . .
C8 C 0.8838(3) 0.2151(4) 0.6109(4) 0.057(2) Uani 1 1 d . . . . .
C9 C 0.6988(3) 0.1059(3) 0.4130(4) 0.0454(15) Uani 1 1 d . . . . .
C10 C 0.6769(3) 0.0663(4) 0.3472(4) 0.0582(19) Uani 1 1 d . . . . .
H10 H 0.700021 0.037864 0.318071 0.070 Uiso 1 1 calc R U . . .
C11 C 0.6213(3) 0.0684(4) 0.3243(4) 0.069(2) Uani 1 1 d . . . . .
H11 H 0.605673 0.042029 0.278610 0.082 Uiso 1 1 calc R U . . .
C12 C 0.5863(3) 0.1098(4) 0.3684(4) 0.069(2) Uani 1 1 d . . . . .
H12 H 0.547231 0.109089 0.351459 0.083 Uiso 1 1 calc R U . . .
C13 C 0.6069(3) 0.1506(4) 0.4342(4) 0.0503(16) Uani 1 1 d . . . . .
H13 H 0.583677 0.179459 0.462671 0.060 Uiso 1 1 calc R U . . .
C14 C 0.6644(3) 0.1478(3) 0.4577(3) 0.0394(14) Uani 1 1 d . . . . .
C15 C 0.7987(3) 0.8605(3) 0.7421(3) 0.0481(17) Uani 1 1 d . . . . .
C16 C 0.7507(3) 0.8338(3) 0.7539(3) 0.0427(14) Uani 1 1 d . . . . .
C17 C 0.6669(3) 0.7896(3) 0.7418(3) 0.0478(16) Uani 1 1 d . . . . .
C18 C 0.6090(3) 0.7620(4) 0.7218(4) 0.062(2) Uani 1 1 d . . . . .
H18 H 0.584707 0.762186 0.686495 0.074 Uiso 1 1 calc R U . . .
C19 C 0.5892(3) 0.7351(5) 0.7553(5) 0.075(3) Uani 1 1 d . . . . .
H19 H 0.550328 0.715499 0.742145 0.091 Uiso 1 1 calc R U . . .
C20 C 0.6233(4) 0.7352(6) 0.8077(6) 0.088(3) Uani 1 1 d . . . . .
H20 H 0.606720 0.717742 0.830788 0.106 Uiso 1 1 calc R U . . .
C21 C 0.6812(4) 0.7600(5) 0.8274(5) 0.077(3) Uani 1 1 d . . . . .
H21 H 0.705333 0.757331 0.861388 0.092 Uiso 1 1 calc R U . . .
C22 C 0.7021(3) 0.7894(4) 0.7940(4) 0.0550(18) Uani 1 1 d . . . . .
C23 C 0.8864(3) 0.8851(3) 0.7441(4) 0.0547(18) Uani 1 1 d . . . . .
C24 C 0.9460(3) 0.8940(4) 0.7506(4) 0.066(2) Uani 1 1 d D . . . .
H24 H 0.970782 0.890951 0.783953 0.080 Uiso 1 1 calc R U . . .
C25 C 0.9678(4) 0.9071(5) 0.7077(5) 0.084(3) Uani 1 1 d D . . . .
H25 H 1.008371 0.913497 0.711748 0.101 Uiso 1 1 calc R U . . .
C26 C 0.9332(4) 0.9115(5) 0.6591(5) 0.084(3) Uani 1 1 d . . . . .
H26 H 0.950735 0.922299 0.631642 0.101 Uiso 1 1 calc R U . . .
C27 C 0.8736(4) 0.9008(4) 0.6480(5) 0.067(2) Uani 1 1 d . . . . .
H27 H 0.849929 0.902499 0.613219 0.080 Uiso 1 1 calc R U . . .
C28 C 0.8509(3) 0.8874(3) 0.6917(4) 0.0567(19) Uani 1 1 d . . . . .
C29 C 0.7886(3) 0.3697(4) 0.0696(4) 0.0567(19) Uani 1 1 d . . . . .
C30 C 0.7410(3) 0.4055(3) 0.0807(3) 0.0482(16) Uani 1 1 d . . . . .
C31 C 0.6558(3) 0.4278(3) 0.0973(3) 0.0494(16) Uani 1 1 d . . . . .
C32 C 0.5989(3) 0.4324(4) 0.1080(4) 0.0557(18) Uani 1 1 d . . . . .
H32 H 0.575409 0.395520 0.101253 0.067 Uiso 1 1 calc R U . . .
C33 C 0.5782(4) 0.4913(4) 0.1282(4) 0.067(2) Uani 1 1 d . . . . .
H33 H 0.539202 0.493896 0.133683 0.081 Uiso 1 1 calc R U . . .
C34 C 0.6106(4) 0.5469(5) 0.1411(5) 0.083(3) Uani 1 1 d . . . . .
H34 H 0.594391 0.586989 0.155936 0.100 Uiso 1 1 calc R U . . .
C35 C 0.6677(4) 0.5441(5) 0.1323(5) 0.077(3) Uani 1 1 d . . . . .
H35 H 0.690695 0.582257 0.141131 0.093 Uiso 1 1 calc R U . . .
C36 C 0.6905(3) 0.4853(4) 0.1106(4) 0.0571(19) Uani 1 1 d . . . . .
C37 C 0.8761(3) 0.3527(5) 0.0741(4) 0.062(2) Uani 1 1 d . . . . .
C38 C 0.9361(4) 0.3548(6) 0.0841(4) 0.078(3) Uani 1 1 d . . . . .
H38 H 0.960330 0.392797 0.094501 0.094 Uiso 1 1 calc R U . . .
C39 C 0.9587(4) 0.2995(7) 0.0783(6) 0.093(3) Uani 1 1 d . . . . .
H39 H 0.999324 0.299929 0.085694 0.112 Uiso 1 1 calc R U . . .
C40 C 0.9230(4) 0.2424(6) 0.0616(5) 0.085(3) Uani 1 1 d . . . . .
H40 H 0.940028 0.204893 0.057010 0.102 Uiso 1 1 calc R U . . .
C41 C 0.8645(4) 0.2400(5) 0.0520(5) 0.071(2) Uani 1 1 d . . . . .
H41 H 0.840725 0.201624 0.041433 0.085 Uiso 1 1 calc R U . . .
C42 C 0.8409(3) 0.2949(4) 0.0581(4) 0.0577(19) Uani 1 1 d . . . . .
C43 C 0.8336(3) 0.1486(3) 0.3685(4) 0.0483(16) Uani 1 1 d . . . . .
H43 H 0.795862 0.125578 0.351309 0.058 Uiso 1 1 calc R U . . .
C44 C 0.8529(3) 0.1855(3) 0.3427(4) 0.0499(16) Uani 1 1 d . . . . .
H44 H 0.828670 0.189036 0.309390 0.060 Uiso 1 1 calc R U . . .
C45 C 0.9085(3) 0.2166(3) 0.3672(4) 0.0519(17) Uani 1 1 d . . . . .
C46 C 0.9423(3) 0.2120(4) 0.4167(4) 0.060(2) Uani 1 1 d . . . . .
H46 H 0.980623 0.233380 0.434052 0.072 Uiso 1 1 calc R U . . .
C47 C 0.9190(3) 0.1758(4) 0.4401(4) 0.058(2) Uani 1 1 d . . . . .
H47 H 0.941907 0.173149 0.474678 0.069 Uiso 1 1 calc R U . . .
C48 C 0.9336(3) 0.2571(4) 0.3418(4) 0.0526(17) Uani 1 1 d . . . . .
C49 C 0.9107(3) 0.3103(4) 0.2799(4) 0.0516(17) Uani 1 1 d . . . . .
H49A H 0.918647 0.280721 0.235308 0.062 Uiso 1 1 calc R U . . .
H49B H 0.946387 0.339739 0.307664 0.062 Uiso 1 1 calc R U . . .
C50 C 0.8639(3) 0.3498(3) 0.2759(3) 0.0467(15) Uani 1 1 d . . . . .
C51 C 0.8200(3) 0.3605(3) 0.3107(3) 0.0413(14) Uani 1 1 d . . . . .
H51 H 0.818155 0.342007 0.337910 0.050 Uiso 1 1 calc R U . . .
C52 C 0.7772(3) 0.3997(3) 0.3057(3) 0.0399(14) Uani 1 1 d . . . . .
C53 C 0.7310(3) 0.4111(3) 0.3394(3) 0.0471(16) Uani 1 1 d . . . . .
H53 H 0.728682 0.393773 0.367601 0.057 Uiso 1 1 calc R U . . .
C54 C 0.6891(3) 0.4468(3) 0.3321(3) 0.0497(17) Uani 1 1 d . . . . .
H54 H 0.657789 0.453440 0.354754 0.060 Uiso 1 1 calc R U . . .
C55 C 0.6918(3) 0.4738(3) 0.2916(3) 0.0453(15) Uani 1 1 d . . . . .
C56 C 0.7364(3) 0.4624(3) 0.2573(3) 0.0470(16) Uani 1 1 d . . . . .
H56 H 0.737742 0.479515 0.228822 0.056 Uiso 1 1 calc R U . . .
C57 C 0.7801(3) 0.4256(3) 0.2637(3) 0.0424(14) Uani 1 1 d . . . . .
C58 C 0.8261(3) 0.4134(3) 0.2295(3) 0.0463(15) Uani 1 1 d . . . . .
H58 H 0.829077 0.431193 0.201876 0.056 Uiso 1 1 calc R U . . .
C59 C 0.8667(3) 0.3760(4) 0.2356(3) 0.0476(16) Uani 1 1 d . . . . .
H59 H 0.897340 0.367879 0.211772 0.057 Uiso 1 1 calc R U . . .
C60 C 0.6467(3) 0.5159(3) 0.2882(4) 0.0552(18) Uani 1 1 d . . . . .
H60A H 0.653114 0.529662 0.256363 0.066 Uiso 1 1 calc R U . . .
H60B H 0.608050 0.490438 0.272905 0.066 Uiso 1 1 calc R U . . .
C61 C 0.6917(3) 0.6222(3) 0.3714(3) 0.0442(15) Uani 1 1 d . . . . .
C62 C 0.6634(3) 0.7278(3) 0.5442(3) 0.0455(15) Uani 1 1 d . . . . .
H62 H 0.636351 0.728809 0.570481 0.055 Uiso 1 1 calc R U . . .
C63 C 0.6564(3) 0.6774(3) 0.4802(3) 0.0473(16) Uani 1 1 d . . . . .
H63 H 0.624696 0.644061 0.462398 0.057 Uiso 1 1 calc R U . . .
C64 C 0.6957(3) 0.6752(3) 0.4418(3) 0.0423(14) Uani 1 1 d . . . . .
C65 C 0.7422(3) 0.7245(3) 0.4698(3) 0.0459(15) Uani 1 1 d . . . . .
H65 H 0.770143 0.724498 0.444892 0.055 Uiso 1 1 calc R U . . .
C66 C 0.7465(3) 0.7721(3) 0.5334(3) 0.0462(16) Uani 1 1 d . . . . .
H66 H 0.778913 0.804674 0.552752 0.055 Uiso 1 1 calc R U . . .
C67 C 0.8380(3) 0.7080(4) 0.7974(3) 0.0516(17) Uani 1 1 d . . . . .
H67 H 0.800116 0.710708 0.806649 0.062 Uiso 1 1 calc R U . . .
C68 C 0.8580(3) 0.6472(4) 0.7695(3) 0.0498(16) Uani 1 1 d . . . . .
H68 H 0.834470 0.609137 0.760068 0.060 Uiso 1 1 calc R U . . .
C69 C 0.9136(3) 0.6435(3) 0.7556(4) 0.0506(17) Uani 1 1 d . . . . .
C70 C 0.9462(3) 0.7005(4) 0.7713(4) 0.066(2) Uani 1 1 d . . . . .
H70 H 0.984522 0.699306 0.763447 0.079 Uiso 1 1 calc R U . . .
C71 C 0.9233(3) 0.7592(4) 0.7985(4) 0.0546(18) Uani 1 1 d . . . . .
H71 H 0.945911 0.797813 0.807860 0.065 Uiso 1 1 calc R U . . .
C72 C 0.9388(3) 0.5800(4) 0.7261(4) 0.0543(18) Uani 1 1 d . . . . .
C73 C 0.9163(3) 0.4648(4) 0.6659(4) 0.0535(17) Uani 1 1 d . . . . .
H73A H 0.924079 0.449495 0.697815 0.064 Uiso 1 1 calc R U . . .
H73B H 0.952147 0.466052 0.649363 0.064 Uiso 1 1 calc R U . . .
C74 C 0.8692(3) 0.4192(3) 0.6098(3) 0.0455(15) Uani 1 1 d . . . . .
C75 C 0.8242(3) 0.4395(3) 0.5846(3) 0.0459(15) Uani 1 1 d . . . . .
H75 H 0.821586 0.485049 0.603203 0.055 Uiso 1 1 calc R U . . .
C76 C 0.7817(3) 0.3941(3) 0.5316(3) 0.0409(14) Uani 1 1 d . . . . .
C77 C 0.7347(3) 0.4132(3) 0.5045(3) 0.0476(16) Uani 1 1 d . . . . .
H77 H 0.732002 0.458549 0.521710 0.057 Uiso 1 1 calc R U . . .
C78 C 0.6931(3) 0.3687(4) 0.4545(3) 0.0495(16) Uani 1 1 d . . . . .
H78 H 0.661359 0.383583 0.438345 0.059 Uiso 1 1 calc R U . . .
C79 C 0.6963(3) 0.3002(4) 0.4260(3) 0.0473(16) Uani 1 1 d . . . . .
C80 C 0.7422(3) 0.2799(4) 0.4508(3) 0.0453(15) Uani 1 1 d . . . . .
H80 H 0.745077 0.234329 0.432105 0.054 Uiso 1 1 calc R U . . .
C81 C 0.7852(3) 0.3258(3) 0.5039(3) 0.0423(14) Uani 1 1 d . . . . .
C82 C 0.8320(3) 0.3065(4) 0.5314(4) 0.0518(17) Uani 1 1 d . . . . .
H82 H 0.834962 0.261070 0.513975 0.062 Uiso 1 1 calc R U . . .
C83 C 0.8731(3) 0.3511(3) 0.5822(4) 0.0484(16) Uani 1 1 d . . . . .
H83 H 0.904554 0.336635 0.599248 0.058 Uiso 1 1 calc R U . . .
C84 C 0.6512(3) 0.2530(4) 0.3696(3) 0.0549(18) Uani 1 1 d . . . . .
H84A H 0.657647 0.207645 0.357725 0.066 Uiso 1 1 calc R U . . .
H84B H 0.612823 0.260511 0.382211 0.066 Uiso 1 1 calc R U . . .
C85 C 0.6936(3) 0.2341(4) 0.2774(3) 0.0483(16) Uani 1 1 d . . . . .
C86 C 0.7423(3) 0.2449(3) 0.1409(3) 0.0442(15) Uani 1 1 d . . . . .
H86 H 0.773138 0.231968 0.117446 0.053 Uiso 1 1 calc R U . . .
C87 C 0.7397(3) 0.2315(3) 0.1906(3) 0.0453(15) Uani 1 1 d . . . . .
H87 H 0.768497 0.209500 0.201097 0.054 Uiso 1 1 calc R U . . .
C88 C 0.6953(3) 0.2503(3) 0.2249(3) 0.0429(15) Uani 1 1 d . . . . .
C89 C 0.6550(3) 0.2842(3) 0.2100(3) 0.0444(15) Uani 1 1 d . . . . .
H89 H 0.624881 0.299171 0.234450 0.053 Uiso 1 1 calc R U . . .
C90 C 0.6586(3) 0.2962(3) 0.1597(3) 0.0438(15) Uani 1 1 d . . . . .
H90 H 0.630397 0.318880 0.149307 0.053 Uiso 1 1 calc R U . . .
C91 C 0.8279(3) 0.5772(4) 0.2363(4) 0.0554(19) Uani 1 1 d . . . . .
H91 H 0.789802 0.581823 0.221554 0.067 Uiso 1 1 calc R U . . .
C92 C 0.8493(3) 0.6083(4) 0.3026(4) 0.0527(17) Uani 1 1 d . . . . .
H92 H 0.826151 0.633575 0.333583 0.063 Uiso 1 1 calc R U . . .
C93 C 0.9048(3) 0.6022(4) 0.3236(4) 0.0527(18) Uani 1 1 d . . . . .
C94 C 0.9371(3) 0.5669(4) 0.2788(4) 0.063(2) Uani 1 1 d . . . . .
H94 H 0.975999 0.563624 0.292303 0.076 Uiso 1 1 calc R U . . .
C95 C 0.9127(3) 0.5358(4) 0.2131(4) 0.062(2) Uani 1 1 d . . . . .
H95 H 0.935492 0.509847 0.181958 0.074 Uiso 1 1 calc R U . . .
C96 C 0.9309(3) 0.6359(4) 0.3953(4) 0.0560(18) Uani 1 1 d . . . . .
C97 C 0.9108(3) 0.6878(4) 0.5039(4) 0.0556(18) Uani 1 1 d . . . . .
H97A H 0.920080 0.735253 0.520927 0.067 Uiso 1 1 calc R U . . .
H97B H 0.946109 0.670943 0.514224 0.067 Uiso 1 1 calc R U . . .
C98 C 0.8654(3) 0.6777(3) 0.5359(3) 0.0470(15) Uani 1 1 d . . . . .
C99 C 0.8193(3) 0.6299(3) 0.5023(3) 0.0461(15) Uani 1 1 d . . . . .
H99 H 0.815100 0.602047 0.455973 0.055 Uiso 1 1 calc R U . . .
C100 C 0.7775(3) 0.6217(3) 0.5358(3) 0.0416(14) Uani 1 1 d . . . . .
C101 C 0.7293(3) 0.5734(3) 0.5021(3) 0.0455(15) Uani 1 1 d . . . . .
H101 H 0.724572 0.544830 0.455864 0.055 Uiso 1 1 calc R U . . .
C102 C 0.6894(3) 0.5674(3) 0.5354(4) 0.0500(17) Uani 1 1 d . . . . .
H102 H 0.656851 0.535163 0.511614 0.060 Uiso 1 1 calc R U . . .
C103 C 0.6950(3) 0.6078(3) 0.6041(4) 0.0471(16) Uani 1 1 d . . . . .
C104 C 0.7420(3) 0.6551(3) 0.6382(4) 0.0472(15) Uani 1 1 d . . . . .
H104 H 0.746565 0.682402 0.684642 0.057 Uiso 1 1 calc R U . . .
C105 C 0.7833(3) 0.6634(3) 0.6051(3) 0.0416(14) Uani 1 1 d . . . . .
C106 C 0.8327(3) 0.7114(3) 0.6381(3) 0.0493(16) Uani 1 1 d . . . . .
H106 H 0.838468 0.739194 0.684568 0.059 Uiso 1 1 calc R U . . .
C107 C 0.8716(3) 0.7183(3) 0.6049(4) 0.0505(17) Uani 1 1 d . . . . .
H107 H 0.903709 0.751124 0.628328 0.061 Uiso 1 1 calc R U . . .
C108 C 0.6526(3) 0.5977(4) 0.6396(4) 0.0573(19) Uani 1 1 d . . . . .
H10A H 0.661568 0.632067 0.686788 0.069 Uiso 1 1 calc R U . . .
H10B H 0.613400 0.600877 0.621069 0.069 Uiso 1 1 calc R U . . .
C109 C 0.6981(3) 0.5276(3) 0.6718(3) 0.0457(15) Uani 1 1 d . . . . .
C110 C 0.6667(3) 0.3449(3) 0.5948(3) 0.0440(15) Uani 1 1 d . . . . .
H110 H 0.639246 0.309960 0.561297 0.053 Uiso 1 1 calc R U . . .
C111 C 0.6613(3) 0.4056(3) 0.6060(3) 0.0459(15) Uani 1 1 d . . . . .
H111 H 0.630778 0.412721 0.580526 0.055 Uiso 1 1 calc R U . . .
C112 C 0.7005(3) 0.4584(3) 0.6552(3) 0.0439(15) Uani 1 1 d . . . . .
C113 C 0.7459(3) 0.4438(3) 0.6887(3) 0.0466(15) Uani 1 1 d . . . . .
H113 H 0.774628 0.477607 0.721400 0.056 Uiso 1 1 calc R U . . .
C114 C 0.7484(3) 0.3801(3) 0.6737(3) 0.0463(16) Uani 1 1 d . . . . .
H114 H 0.779350 0.370454 0.696516 0.056 Uiso 1 1 calc R U . . .
C115 C 0.6206(4) 0.1968(5) 0.6285(4) 0.070(3) Uani 1 1 d . . . . .
C116 C 0.6690(5) 0.1658(4) 0.6416(5) 0.075(3) Uani 1 1 d . . . . .
C117 C 0.7036(4) 0.2151(6) 0.7010(5) 0.077(3) Uani 1 1 d . . . . .
C118 C 0.6801(5) 0.2742(5) 0.7212(5) 0.087(3) Uani 1 1 d . . . . .
C119 C 0.6307(4) 0.2633(5) 0.6785(5) 0.078(3) Uani 1 1 d . . . . .
C120 C 0.5689(5) 0.1642(8) 0.5750(6) 0.138(6) Uani 1 1 d . U . . .
H12A H 0.580487 0.130948 0.534517 0.207 Uiso 1 1 calc R U . . .
H12B H 0.550916 0.196994 0.567150 0.207 Uiso 1 1 calc R U . . .
H12C H 0.541322 0.143307 0.588122 0.207 Uiso 1 1 calc R U . . .
C121 C 0.6778(7) 0.0953(6) 0.6032(8) 0.142(6) Uani 1 1 d . U . . .
H12D H 0.718990 0.091717 0.603760 0.214 Uiso 1 1 calc R U . . .
H12E H 0.657515 0.076218 0.557607 0.214 Uiso 1 1 calc R U . . .
H12F H 0.662644 0.071645 0.622951 0.214 Uiso 1 1 calc R U . . .
C122 C 0.7562(6) 0.2029(9) 0.7353(8) 0.144(6) Uani 1 1 d . U . . .
H12G H 0.783885 0.242686 0.759018 0.216 Uiso 1 1 calc R U . . .
H12H H 0.773781 0.166990 0.702651 0.216 Uiso 1 1 calc R U . . .
H12I H 0.745166 0.191004 0.766573 0.216 Uiso 1 1 calc R U . . .
C123 C 0.7040(7) 0.3376(7) 0.7839(5) 0.139(5) Uani 1 1 d . U . . .
H12J H 0.698269 0.374486 0.776746 0.208 Uiso 1 1 calc R U . . .
H12K H 0.745202 0.337352 0.796753 0.208 Uiso 1 1 calc R U . . .
H12L H 0.683997 0.342045 0.818947 0.208 Uiso 1 1 calc R U . . .
C124 C 0.5916(7) 0.3157(8) 0.6868(8) 0.142(6) Uani 1 1 d . U . . .
H12M H 0.559326 0.311130 0.706314 0.213 Uiso 1 1 calc R U . . .
H12N H 0.576920 0.310553 0.643621 0.213 Uiso 1 1 calc R U . . .
H12O H 0.613547 0.359196 0.715617 0.213 Uiso 1 1 calc R U . . .
C125 C 0.8969(3) 0.0128(4) 0.4120(5) 0.066(2) Uani 1 1 d . . . . .
C126 C 0.8972(3) 0.0297(4) 0.4785(5) 0.062(2) Uani 1 1 d . . . . .
C127 C 0.8393(4) 0.0118(5) 0.4831(7) 0.084(3) Uani 1 1 d . . . . .
C128 C 0.8052(4) -0.0148(4) 0.4221(7) 0.088(3) Uani 1 1 d . . . . .
C129 C 0.8389(4) -0.0126(4) 0.3766(6) 0.080(3) Uani 1 1 d . . . . .
C130 C 0.9479(4) 0.0203(5) 0.3859(6) 0.083(3) Uani 1 1 d . . . . .
H13A H 0.974744 0.057875 0.420697 0.124 Uiso 1 1 calc R U . . .
H13B H 0.935900 0.027420 0.348985 0.124 Uiso 1 1 calc R U . . .
H13C H 0.967025 -0.019571 0.370647 0.124 Uiso 1 1 calc R U . . .
C131 C 0.9465(4) 0.0569(5) 0.5338(6) 0.085(3) Uani 1 1 d . . . . .
H13D H 0.958674 0.022133 0.542171 0.128 Uiso 1 1 calc R U . . .
H13E H 0.935080 0.092012 0.573334 0.128 Uiso 1 1 calc R U . . .
H13F H 0.978411 0.074475 0.522752 0.128 Uiso 1 1 calc R U . . .
C132 C 0.8215(6) 0.0243(7) 0.5458(8) 0.120(5) Uani 1 1 d . U . . .
H13G H 0.779471 0.017451 0.539110 0.180 Uiso 1 1 calc R U . . .
H13H H 0.835561 0.069518 0.580598 0.180 Uiso 1 1 calc R U . . .
H13I H 0.837968 -0.006010 0.558603 0.180 Uiso 1 1 calc R U . . .
C133 C 0.7418(4) -0.0422(5) 0.4042(9) 0.139(6) Uani 1 1 d . U . . .
H13J H 0.737831 -0.080243 0.409914 0.209 Uiso 1 1 calc R U . . .
H13K H 0.726959 -0.055503 0.358195 0.209 Uiso 1 1 calc R U . . .
H13L H 0.719986 -0.008402 0.432892 0.209 Uiso 1 1 calc R U . . .
C134 C 0.8202(6) -0.0400(5) 0.3059(7) 0.124(5) Uani 1 1 d . U . . .
H13M H 0.830667 -0.084534 0.282162 0.186 Uiso 1 1 calc R U . . .
H13N H 0.838988 -0.012572 0.292140 0.186 Uiso 1 1 calc R U . . .
H13O H 0.778344 -0.041163 0.296011 0.186 Uiso 1 1 calc R U . . .
C135 C 0.6310(3) 0.8926(4) 0.6131(4) 0.060(2) Uani 1 1 d . . . . .
C136 C 0.6255(3) 0.9107(4) 0.6775(4) 0.060(2) Uani 1 1 d . . . . .
C137 C 0.6750(4) 0.9576(4) 0.7214(4) 0.068(2) Uani 1 1 d . . . . .
C138 C 0.7097(3) 0.9666(4) 0.6816(5) 0.064(2) Uani 1 1 d . . . . .
C139 C 0.6846(4) 0.9251(4) 0.6140(4) 0.064(2) Uani 1 1 d . . . . .
C140 C 0.5880(4) 0.8479(4) 0.5514(5) 0.085(3) Uani 1 1 d . . . . .
H14A H 0.565441 0.817256 0.558457 0.127 Uiso 1 1 calc R U . . .
H14B H 0.608458 0.823196 0.515062 0.127 Uiso 1 1 calc R U . . .
H14C H 0.562303 0.874015 0.540535 0.127 Uiso 1 1 calc R U . . .
C141 C 0.5750(4) 0.8912(5) 0.6966(6) 0.082(3) Uani 1 1 d . . . . .
H14D H 0.548366 0.924423 0.706865 0.123 Uiso 1 1 calc R U . . .
H14E H 0.587540 0.887319 0.735471 0.123 Uiso 1 1 calc R U . . .
H14F H 0.555414 0.848887 0.660178 0.123 Uiso 1 1 calc R U . . .
C142 C 0.6855(4) 0.9921(5) 0.7942(5) 0.087(3) Uani 1 1 d . . . . .
H14G H 0.726760 0.996604 0.810951 0.131 Uiso 1 1 calc R U . . .
H14H H 0.664064 0.966979 0.808499 0.131 Uiso 1 1 calc R U . . .
H14I H 0.672797 1.035726 0.811352 0.131 Uiso 1 1 calc R U . . .
C143 C 0.7640(4) 1.0143(4) 0.7077(6) 0.094(3) Uani 1 1 d . . . . .
H14J H 0.753959 1.057842 0.718116 0.140 Uiso 1 1 calc R U . . .
H14K H 0.788475 0.999336 0.674222 0.140 Uiso 1 1 calc R U . . .
H14L H 0.784861 1.016576 0.747566 0.140 Uiso 1 1 calc R U . . .
C144 C 0.7062(5) 0.9202(5) 0.5548(5) 0.086(3) Uani 1 1 d . . . . .
H14M H 0.694608 0.875970 0.516810 0.129 Uiso 1 1 calc R U . . .
H14N H 0.748284 0.929444 0.564871 0.129 Uiso 1 1 calc R U . . .
H14O H 0.689689 0.952223 0.544589 0.129 Uiso 1 1 calc R U . . .
C155 C 0.6130(3) 0.2359(4) -0.0335(4) 0.062(2) Uani 1 1 d . . . . .
C156 C 0.6562(4) 0.2418(5) -0.0663(4) 0.071(2) Uani 1 1 d . . . . .
C157 C 0.6978(4) 0.1995(5) -0.0673(4) 0.070(2) Uani 1 1 d . . . . .
C158 C 0.6808(4) 0.1668(4) -0.0346(4) 0.068(2) Uani 1 1 d . . . . .
C159 C 0.6276(4) 0.1898(4) -0.0152(4) 0.064(2) Uani 1 1 d . . . . .
C160 C 0.5583(4) 0.2667(6) -0.0242(6) 0.102(4) Uani 1 1 d . . . . .
H16A H 0.529223 0.241406 -0.064310 0.153 Uiso 1 1 calc R U . . .
H16B H 0.565424 0.311758 -0.014932 0.153 Uiso 1 1 calc R U . . .
H16C H 0.544486 0.267015 0.012846 0.153 Uiso 1 1 calc R U . . .
C161 C 0.6571(6) 0.2858(7) -0.0951(6) 0.126(5) Uani 1 1 d . U . . .
H16D H 0.696586 0.294810 -0.099195 0.189 Uiso 1 1 calc R U . . .
H16E H 0.643056 0.327140 -0.066180 0.189 Uiso 1 1 calc R U . . .
H16F H 0.632302 0.264137 -0.138685 0.189 Uiso 1 1 calc R U . . .
C162 C 0.7505(5) 0.1898(7) -0.0983(5) 0.118(4) Uani 1 1 d . U . . .
H16G H 0.740106 0.157080 -0.145302 0.177 Uiso 1 1 calc R U . . .
H16H H 0.779510 0.174605 -0.076874 0.177 Uiso 1 1 calc R U . . .
H16I H 0.766046 0.231459 -0.092859 0.177 Uiso 1 1 calc R U . . .
C163 C 0.7097(6) 0.1157(5) -0.0268(5) 0.110(4) Uani 1 1 d . U . . .
H16J H 0.709699 0.123491 0.017681 0.166 Uiso 1 1 calc R U . . .
H16K H 0.749443 0.117611 -0.033533 0.166 Uiso 1 1 calc R U . . .
H16L H 0.688993 0.072411 -0.059269 0.166 Uiso 1 1 calc R U . . .
C164 C 0.5936(5) 0.1634(5) 0.0166(5) 0.097(4) Uani 1 1 d . U . . .
H16M H 0.572209 0.197455 0.045735 0.146 Uiso 1 1 calc R U . . .
H16N H 0.619792 0.149926 0.042408 0.146 Uiso 1 1 calc R U . . .
H16O H 0.566596 0.125526 -0.017339 0.146 Uiso 1 1 calc R U . . .
C175 C 0.8844(4) 0.0565(5) 0.1390(5) 0.082(3) Uani 1 1 d . . . . .
C176 C 0.8876(4) 0.8242(5) 0.3850(7) 0.103(4) Uani 1 1 d . . . . .
C177 C 0.8941(5) 0.5728(7) 0.9085(6) 0.099(4) Uani 1 1 d . . . . .
C178 C 0.5427(5) 0.0919(5) 0.7732(5) 0.081(3) Uani 1 1 d . . . . .
S5 S 0.5088(2) 0.3187(3) 0.4791(4) 0.0484(16) Uani 0.460(13) 1 d D U P C 1
O25 O 0.4691(15) 0.270(3) 0.4226(18) 0.094(8) Uani 0.460(13) 1 d D U P C 1
O26 O 0.568(2) 0.309(8) 0.478(6) 0.076(7) Uani 0.460(13) 1 d D U P C 1
O27 O 0.4936(10) 0.3331(14) 0.5405(9) 0.149(9) Uani 0.460(13) 1 d D U P C 1
C179 C 0.5041(8) 0.3931(14) 0.4856(12) 0.132(10) Uani 0.460(13) 1 d D U P C 1
F13 F 0.4505(5) 0.4132(7) 0.4920(9) 0.098(6) Uani 0.460(13) 1 d D U P C 1
F14 F 0.5393(6) 0.4445(7) 0.5390(9) 0.094(6) Uani 0.460(13) 1 d D U P C 1
F15 F 0.5140(17) 0.3870(17) 0.4280(15) 0.212(13) Uani 0.460(13) 1 d D U P C 1
S5' S 0.5135(2) 0.3189(3) 0.4512(4) 0.0649(16) Uani 0.540(13) 1 d D U P C 2
O25' O 0.4586(12) 0.284(2) 0.4385(16) 0.094(8) Uani 0.540(13) 1 d D . P C 2
O26' O 0.5611(18) 0.304(7) 0.483(5) 0.076(7) Uani 0.540(13) 1 d D . P C 2
O27' O 0.5252(7) 0.3235(11) 0.3938(8) 0.125(7) Uani 0.540(13) 1 d D U P C 2
C279 C 0.5054(12) 0.409(2) 0.5097(16) 0.128(8) Uani 0.540(13) 1 d D U P C 2
F13' F 0.4714(14) 0.4164(15) 0.4621(16) 0.207(13) Uani 0.540(13) 1 d D U P C 2
F14' F 0.5550(9) 0.4356(11) 0.5011(13) 0.154(9) Uani 0.540(13) 1 d D U P C 2
F15' F 0.4890(8) 0.4020(10) 0.5597(10) 0.161(7) Uani 0.540(13) 1 d D U P C 2
C181 C 0.6850(11) 1.0576(9) 0.1058(11) 0.203(9) Uani 1 1 d . U . . .
H18A H 0.678894 1.097566 0.145103 0.304 Uiso 1 1 calc R U . . .
H18B H 0.653438 1.046638 0.069122 0.304 Uiso 1 1 calc R U . . .
H18C H 0.721564 1.064931 0.094160 0.304 Uiso 1 1 calc R U . . .
C182 C 0.6867(7) 1.0023(10) 0.1194(9) 0.152(6) Uani 1 1 d D U . . .
H182 H 0.703718 0.965917 0.084594 0.182 Uiso 1 1 calc R U . . .
C183 C 0.7176(10) 1.0179(11) 0.1823(9) 0.202(9) Uani 1 1 d . U . . .
H18D H 0.758729 1.028221 0.184829 0.303 Uiso 1 1 calc R U . . .
H18E H 0.711963 0.980342 0.188517 0.303 Uiso 1 1 calc R U . . .
H18F H 0.703525 1.055908 0.216754 0.303 Uiso 1 1 calc R U . . .
C184 C 0.5601(15) 0.9090(18) 0.1190(18) 0.325(17) Uani 1 1 d . U . . .
H18G H 0.532958 0.937639 0.114866 0.487 Uiso 1 1 calc R U . . .
H18H H 0.573410 0.924034 0.165743 0.487 Uiso 1 1 calc R U . . .
H18I H 0.540922 0.863953 0.096621 0.487 Uiso 1 1 calc R U . . .
C185 C 0.6136(14) 0.9111(13) 0.0865(16) 0.247(12) Uani 1 1 d D U . . .
H185 H 0.647308 0.897669 0.105640 0.296 Uiso 1 1 calc R U . . .
C186 C 0.5930(16) 0.8543(19) 0.0052(16) 0.328(18) Uani 1 1 d . U . . .
H18J H 0.556289 0.863131 -0.011970 0.492 Uiso 1 1 calc R U . . .
H18K H 0.588596 0.810470 -0.000332 0.492 Uiso 1 1 calc R U . . .
H18L H 0.622374 0.856697 -0.018980 0.492 Uiso 1 1 calc R U . . .
O31 O 0.6252(7) 0.9824(9) 0.1090(10) 0.246(7) Uani 1 1 d D U . . .
C187 C 0.5857(6) 0.9534(10) 0.3960(8) 0.154(7) Uani 1 1 d . . . . .
O32 O 0.6103(4) 0.9397(6) 0.4443(5) 0.146(4) Uani 1 1 d . . . . .
O33 O 0.5364(4) 0.9755(4) 0.5299(4) 0.114(3) Uani 1 1 d . . . . .
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
C116 Rh1 N18 159.1(3) . . ?
C116 Rh1 C118 65.0(4) . . ?
N18 Rh1 C118 99.2(3) . . ?
C116 Rh1 C117 38.8(4) . . ?
N18 Rh1 C117 133.6(4) . . ?
C118 Rh1 C117 38.2(4) . . ?
C116 Rh1 C119 65.1(4) . . ?
N18 Rh1 C119 94.0(3) . . ?
C118 Rh1 C119 36.9(4) . . ?
C117 Rh1 C119 63.0(4) . . ?
C116 Rh1 N2 108.1(3) . . ?
N18 Rh1 N2 90.6(2) . . ?
C118 Rh1 N2 114.5(4) . . ?
C117 Rh1 N2 93.8(3) . . ?
C119 Rh1 N2 151.4(3) . . ?
C116 Rh1 C115 39.8(4) . . ?
N18 Rh1 C115 121.9(3) . . ?
C118 Rh1 C115 63.6(4) . . ?
C117 Rh1 C115 64.3(3) . . ?
C119 Rh1 C115 38.1(4) . . ?
N2 Rh1 C115 147.4(3) . . ?
C116 Rh1 N1 98.5(3) . . ?
N18 Rh1 N1 93.7(2) . . ?
C118 Rh1 N1 160.3(3) . . ?
C117 Rh1 N1 132.6(4) . . ?
C119 Rh1 N1 127.7(3) . . ?
N2 Rh1 N1 79.9(2) . . ?
C115 Rh1 N1 97.0(3) . . ?
C129 Rh2 N13 105.0(4) . . ?
C129 Rh2 N4 112.5(3) . . ?
N13 Rh2 N4 90.3(2) . . ?
C129 Rh2 C128 39.7(4) . . ?
N13 Rh2 C128 142.7(4) . . ?
N4 Rh2 C128 94.5(3) . . ?
C129 Rh2 C125 39.1(3) . . ?
N13 Rh2 C125 95.3(3) . . ?
N4 Rh2 C125 151.5(3) . . ?
C128 Rh2 C125 64.7(3) . . ?
C129 Rh2 C126 65.1(4) . . ?
N13 Rh2 C126 120.0(2) . . ?
N4 Rh2 C126 149.5(3) . . ?
C128 Rh2 C126 63.7(3) . . ?
C125 Rh2 C126 38.3(3) . . ?
C129 Rh2 N3 161.1(3) . . ?
N13 Rh2 N3 88.9(2) . . ?
N4 Rh2 N3 79.6(2) . . ?
C128 Rh2 N3 128.4(4) . . ?
C125 Rh2 N3 128.3(3) . . ?
C126 Rh2 N3 97.0(3) . . ?
C129 Rh2 C127 64.9(5) . . ?
N13 Rh2 C127 158.6(3) . . ?
N4 Rh2 C127 110.9(3) . . ?
C128 Rh2 C127 36.8(4) . . ?
C125 Rh2 C127 64.7(4) . . ?
C126 Rh2 C127 39.1(3) . . ?
N3 Rh2 C127 97.6(4) . . ?
N14 Rh3 C139 98.6(3) . . ?
N14 Rh3 C137 159.5(3) . . ?
C139 Rh3 C137 65.6(4) . . ?
N14 Rh3 C138 133.3(3) . . ?
C139 Rh3 C138 38.6(3) . . ?
C137 Rh3 C138 38.7(4) . . ?
N14 Rh3 C136 123.5(3) . . ?
C139 Rh3 C136 65.6(3) . . ?
C137 Rh3 C136 39.4(3) . . ?
C138 Rh3 C136 64.9(3) . . ?
N14 Rh3 N5 90.5(2) . . ?
C139 Rh3 N5 114.0(3) . . ?
C137 Rh3 N5 107.6(3) . . ?
C138 Rh3 N5 93.3(3) . . ?
C136 Rh3 N5 146.0(3) . . ?
N14 Rh3 C135 95.2(3) . . ?
C139 Rh3 C135 39.4(3) . . ?
C137 Rh3 C135 64.3(3) . . ?
C138 Rh3 C135 64.1(3) . . ?
C136 Rh3 C135 37.7(3) . . ?
N5 Rh3 C135 153.3(3) . . ?
N14 Rh3 N6 93.6(2) . . ?
C139 Rh3 N6 161.3(3) . . ?
C137 Rh3 N6 99.0(3) . . ?
C138 Rh3 N6 132.9(3) . . ?
C136 Rh3 N6 95.8(3) . . ?
N5 Rh3 N6 79.8(2) . . ?
C135 Rh3 N6 125.6(3) . . ?
N8 Rh4 C149 162.5(5) . . ?
N8 Rh4 C147 98.6(4) . . ?
C149 Rh4 C147 64.6(5) . . ?
N8 Rh4 C145 130.0(4) . . ?
C149 Rh4 C145 39.3(6) . . ?
C147 Rh4 C145 63.3(5) . . ?
N8 Rh4 C146 97.8(4) . . ?
C149 Rh4 C146 66.4(6) . . ?
C147 Rh4 C146 40.4(5) . . ?
C145 Rh4 C146 37.4(4) . . ?
N8 Rh4 C148 129.9(5) . . ?
C149 Rh4 C148 38.1(6) . . ?
C147 Rh4 C148 38.1(4) . . ?
C145 Rh4 C148 63.4(6) . . ?
C146 Rh4 C148 66.0(5) . . ?
N8 Rh4 N15 88.6(2) . . ?
C149 Rh4 N15 105.6(5) . . ?
C147 Rh4 N15 159.7(4) . . ?
C145 Rh4 N15 97.6(5) . . ?
C146 Rh4 N15 120.1(4) . . ?
C148 Rh4 N15 141.2(5) . . ?
N8 Rh4 N7 80.5(2) . . ?
C149 Rh4 N7 109.8(5) . . ?
C147 Rh4 N7 112.3(4) . . ?
C145 Rh4 N7 148.9(5) . . ?
C146 Rh4 N7 152.5(4) . . ?
C148 Rh4 N7 93.8(4) . . ?
N15 Rh4 N7 87.4(2) . . ?
C146 C145 C149 113.2(14) . . ?
C146 C145 C150 126.6(14) . . ?
C149 C145 C150 120.3(15) . . ?
C146 C145 Rh4 72.5(8) . . ?
C149 C145 Rh4 70.2(8) . . ?
C150 C145 Rh4 125.8(11) . . ?
C145 C146 C151 127.3(13) . . ?
C145 C146 C147 102.8(13) . . ?
C151 C146 C147 129.6(13) . . ?
C145 C146 Rh4 70.1(8) . . ?
C151 C146 Rh4 128.8(9) . . ?
C147 C146 Rh4 68.7(7) . . ?
C148 C147 C146 109.6(11) . . ?
C148 C147 C152 130.0(14) . . ?
C146 C147 C152 120.3(13) . . ?
C148 C147 Rh4 72.5(7) . . ?
C146 C147 Rh4 70.9(7) . . ?
C152 C147 Rh4 125.6(8) . . ?
C149 C148 C147 108.4(12) . . ?
C149 C148 C153 127.6(14) . . ?
C147 C148 C153 123.9(15) . . ?
C149 C148 Rh4 69.3(8) . . ?
C147 C148 Rh4 69.4(7) . . ?
C153 C148 Rh4 126.8(9) . . ?
C148 C149 C145 105.6(13) . . ?
C148 C149 C154 126.1(15) . . ?
C145 C149 C154 127.7(15) . . ?
C148 C149 Rh4 72.7(8) . . ?
C145 C149 Rh4 70.5(8) . . ?
C154 C149 Rh4 127.6(11) . . ?
C145 C150 H15A 109.5 . . ?
C145 C150 H15B 109.5 . . ?
H15A C150 H15B 109.5 . . ?
C145 C150 H15C 109.5 . . ?
H15A C150 H15C 109.5 . . ?
H15B C150 H15C 109.5 . . ?
C146 C151 H15D 109.5 . . ?
C146 C151 H15E 109.5 . . ?
H15D C151 H15E 109.5 . . ?
C146 C151 H15F 109.5 . . ?
H15D C151 H15F 109.5 . . ?
H15E C151 H15F 109.5 . . ?
C147 C152 H15G 109.5 . . ?
C147 C152 H15H 109.5 . . ?
H15G C152 H15H 109.5 . . ?
C147 C152 H15I 109.5 . . ?
H15G C152 H15I 109.5 . . ?
H15H C152 H15I 109.5 . . ?
C148 C153 H15J 109.5 . . ?
C148 C153 H15K 109.5 . . ?
H15J C153 H15K 109.5 . . ?
C148 C153 H15L 109.5 . . ?
H15J C153 H15L 109.5 . . ?
H15K C153 H15L 109.5 . . ?
C149 C154 H15M 109.5 . . ?
C149 C154 H15N 109.5 . . ?
H15M C154 H15N 109.5 . . ?
C149 C154 H15O 109.5 . . ?
H15M C154 H15O 109.5 . . ?
H15N C154 H15O 109.5 . . ?
N15 Rh4' N7 96.7(3) . . ?
N15 Rh4' C249 104.9(5) . . ?
N7 Rh4' C249 123.3(5) . . ?
N15 Rh4' C248 140.5(6) . . ?
N7 Rh4' C248 96.8(4) . . ?
C249 Rh4' C248 38.4(3) . . ?
N15 Rh4' C245 96.2(5) . . ?
N7 Rh4' C245 160.2(5) . . ?
C249 Rh4' C245 38.2(3) . . ?
C248 Rh4' C245 63.9(4) . . ?
N15 Rh4' C247 158.6(5) . . ?
N7 Rh4' C247 104.7(5) . . ?
C249 Rh4' C247 63.9(4) . . ?
C248 Rh4' C247 38.1(2) . . ?
C245 Rh4' C247 63.5(4) . . ?
N15 Rh4' C246 121.5(4) . . ?
N7 Rh4' C246 139.2(6) . . ?
C249 Rh4' C246 63.6(4) . . ?
C248 Rh4' C246 63.6(4) . . ?
C245 Rh4' C246 37.8(3) . . ?
C247 Rh4' C246 37.8(2) . . ?
N15 Rh4' N8 85.4(3) . . ?
N7 Rh4' N8 74.4(4) . . ?
C249 Rh4' N8 157.1(5) . . ?
C248 Rh4' N8 134.0(5) . . ?
C245 Rh4' N8 121.6(5) . . ?
C247 Rh4' N8 99.4(5) . . ?
C246 Rh4' N8 93.5(5) . . ?
C249 C245 C246 108.0 . . ?
C249 C245 C250 126.0 . . ?
C246 C245 C250 126.0 . . ?
C249 C245 Rh4' 70.0(5) . . ?
C246 C245 Rh4' 71.7(5) . . ?
C250 C245 Rh4' 123.9(4) . . ?
C247 C246 C245 108.0 . . ?
C247 C246 C251 126.0 . . ?
C245 C246 C251 126.0 . . ?
C247 C246 Rh4' 70.6(4) . . ?
C245 C246 Rh4' 70.4(5) . . ?
C251 C246 Rh4' 124.6(5) . . ?
C246 C247 C248 108.0 . . ?
C246 C247 C252 126.0 . . ?
C248 C247 C252 126.0 . . ?
C246 C247 Rh4' 71.6(5) . . ?
C248 C247 Rh4' 69.9(5) . . ?
C252 C247 Rh4' 124.0(5) . . ?
C249 C248 C247 108.0 . . ?
C249 C248 C253 126.0 . . ?
C247 C248 C253 126.0 . . ?
C249 C248 Rh4' 70.7(5) . . ?
C247 C248 Rh4' 71.9(5) . . ?
C253 C248 Rh4' 123.0(4) . . ?
C245 C249 C248 108.0 . . ?
C245 C249 C254 126.0 . . ?
C248 C249 C254 126.0 . . ?
C245 C249 Rh4' 71.9(5) . . ?
C248 C249 Rh4' 70.9(4) . . ?
C254 C249 Rh4' 122.9(4) . . ?
C245 C250 H25A 109.5 . . ?
C245 C250 H25B 109.5 . . ?
H25A C250 H25B 109.5 . . ?
C245 C250 H25C 109.5 . . ?
H25A C250 H25C 109.5 . . ?
H25B C250 H25C 109.5 . . ?
C246 C251 H25D 109.5 . . ?
C246 C251 H25E 109.5 . . ?
H25D C251 H25E 109.5 . . ?
C246 C251 H25F 109.5 . . ?
H25D C251 H25F 109.5 . . ?
H25E C251 H25F 109.5 . . ?
C247 C252 H25G 109.5 . . ?
C247 C252 H25H 109.5 . . ?
H25G C252 H25H 109.5 . . ?
C247 C252 H25I 109.5 . . ?
H25G C252 H25I 109.5 . . ?
H25H C252 H25I 109.5 . . ?
C248 C253 H25J 109.5 . . ?
C248 C253 H25K 109.5 . . ?
H25J C253 H25K 109.5 . . ?
C248 C253 H25L 109.5 . . ?
H25J C253 H25L 109.5 . . ?
H25K C253 H25L 109.5 . . ?
C249 C254 H25M 109.5 . . ?
C249 C254 H25N 109.5 . . ?
H25M C254 H25N 109.5 . . ?
C249 C254 H25O 109.5 . . ?
H25M C254 H25O 109.5 . . ?
H25N C254 H25O 109.5 . . ?
N16 Rh5 C156 156.3(3) . . ?
N16 Rh5 C155 118.9(3) . . ?
C156 Rh5 C155 38.6(3) . . ?
N16 Rh5 C157 137.6(3) . . ?
C156 Rh5 C157 38.8(4) . . ?
C155 Rh5 C157 64.9(3) . . ?
N16 Rh5 C159 93.3(3) . . ?
C156 Rh5 C159 63.7(3) . . ?
C155 Rh5 C159 38.0(3) . . ?
C157 Rh5 C159 64.0(3) . . ?
N16 Rh5 N9 90.2(2) . . ?
C156 Rh5 N9 112.4(3) . . ?
C155 Rh5 N9 150.8(3) . . ?
C157 Rh5 N9 93.8(3) . . ?
C159 Rh5 N9 149.7(3) . . ?
N16 Rh5 C158 101.2(3) . . ?
C156 Rh5 C158 65.1(3) . . ?
C155 Rh5 C158 65.3(3) . . ?
C157 Rh5 C158 38.7(3) . . ?
C159 Rh5 C158 38.9(3) . . ?
N9 Rh5 C158 111.0(3) . . ?
N16 Rh5 N10 92.0(2) . . ?
C156 Rh5 N10 98.7(3) . . ?
C155 Rh5 N10 98.9(3) . . ?
C157 Rh5 N10 130.2(3) . . ?
C159 Rh5 N10 130.5(3) . . ?
N9 Rh5 N10 79.4(2) . . ?
C158 Rh5 N10 162.9(3) . . ?
N12 Rh6 C169 161.9(6) . . ?
N12 Rh6 C168 128.2(5) . . ?
C169 Rh6 C168 39.1(5) . . ?
N12 Rh6 C167 97.4(4) . . ?
C169 Rh6 C167 65.1(6) . . ?
C168 Rh6 C167 38.5(4) . . ?
N12 Rh6 C165 130.2(5) . . ?
C169 Rh6 C165 39.7(7) . . ?
C168 Rh6 C165 65.6(6) . . ?
C167 Rh6 C165 64.8(6) . . ?
N12 Rh6 C166 98.1(4) . . ?
C169 Rh6 C166 65.8(7) . . ?
C168 Rh6 C166 66.5(6) . . ?
C167 Rh6 C166 40.4(5) . . ?
C165 Rh6 C166 37.8(5) . . ?
N12 Rh6 N17 88.8(3) . . ?
C169 Rh6 N17 106.2(5) . . ?
C168 Rh6 N17 142.5(5) . . ?
C167 Rh6 N17 159.7(4) . . ?
C165 Rh6 N17 96.5(5) . . ?
C166 Rh6 N17 119.7(4) . . ?
N12 Rh6 N11 80.0(3) . . ?
C169 Rh6 N11 110.2(6) . . ?
C168 Rh6 N11 93.0(5) . . ?
C167 Rh6 N11 112.3(4) . . ?
C165 Rh6 N11 149.5(5) . . ?
C166 Rh6 N11 152.5(4) . . ?
N17 Rh6 N11 87.7(3) . . ?
C166 C165 C169 109.7(14) . . ?
C166 C165 C170 122.8(16) . . ?
C169 C165 C170 127.5(17) . . ?
C166 C165 Rh6 71.8(9) . . ?
C169 C165 Rh6 68.7(9) . . ?
C170 C165 Rh6 127.8(12) . . ?
C165 C166 C167 105.7(13) . . ?
C165 C166 C171 129.5(14) . . ?
C167 C166 C171 124.6(13) . . ?
C165 C166 Rh6 70.4(10) . . ?
C167 C166 Rh6 68.9(7) . . ?
C171 C166 Rh6 129.0(10) . . ?
C168 C167 C166 108.9(12) . . ?
C168 C167 C172 129.1(14) . . ?
C166 C167 C172 122.1(13) . . ?
C168 C167 Rh6 70.6(9) . . ?
C166 C167 Rh6 70.7(7) . . ?
C172 C167 Rh6 125.8(9) . . ?
C167 C168 C169 107.6(14) . . ?
C167 C168 C173 121.8(15) . . ?
C169 C168 C173 130.5(16) . . ?
C167 C168 Rh6 70.9(9) . . ?
C169 C168 Rh6 69.4(9) . . ?
C173 C168 Rh6 127.5(11) . . ?
C168 C169 C165 108.1(15) . . ?
C168 C169 C174 127.3(19) . . ?
C165 C169 C174 124.0(19) . . ?
C168 C169 Rh6 71.5(9) . . ?
C165 C169 Rh6 71.6(9) . . ?
C174 C169 Rh6 129.5(15) . . ?
C165 C170 H17A 109.5 . . ?
C165 C170 H17B 109.5 . . ?
H17A C170 H17B 109.5 . . ?
C165 C170 H17C 109.5 . . ?
H17A C170 H17C 109.5 . . ?
H17B C170 H17C 109.5 . . ?
C166 C171 H17D 109.5 . . ?
C166 C171 H17E 109.5 . . ?
H17D C171 H17E 109.5 . . ?
C166 C171 H17F 109.5 . . ?
H17D C171 H17F 109.5 . . ?
H17E C171 H17F 109.5 . . ?
C167 C172 H17G 109.5 . . ?
C167 C172 H17H 109.5 . . ?
H17G C172 H17H 109.5 . . ?
C167 C172 H17I 109.5 . . ?
H17G C172 H17I 109.5 . . ?
H17H C172 H17I 109.5 . . ?
C168 C173 H17J 109.5 . . ?
C168 C173 H17K 109.5 . . ?
H17J C173 H17K 109.5 . . ?
C168 C173 H17L 109.5 . . ?
H17J C173 H17L 109.5 . . ?
H17K C173 H17L 109.5 . . ?
C169 C174 H17M 109.5 . . ?
C169 C174 H17N 109.5 . . ?
H17M C174 H17N 109.5 . . ?
C169 C174 H17O 109.5 . . ?
H17M C174 H17O 109.5 . . ?
H17N C174 H17O 109.5 . . ?
N17 Rh6' N11 97.9(4) . . ?
N17 Rh6' C268 143.0(6) . . ?
N11 Rh6' C268 96.1(5) . . ?
N17 Rh6' C269 106.9(6) . . ?
N11 Rh6' C269 119.2(6) . . ?
C268 Rh6' C269 37.4(3) . . ?
N17 Rh6' C267 154.4(5) . . ?
N11 Rh6' C267 107.6(5) . . ?
C268 Rh6' C267 37.4(3) . . ?
C269 Rh6' C267 62.4(5) . . ?
N17 Rh6' C265 94.8(5) . . ?
N11 Rh6' C265 156.2(6) . . ?
C268 Rh6' C265 62.3(5) . . ?
C269 Rh6' C265 37.3(3) . . ?
C267 Rh6' C265 62.2(5) . . ?
N17 Rh6' C266 117.4(5) . . ?
N11 Rh6' C266 143.2(6) . . ?
C268 Rh6' C266 62.3(4) . . ?
C269 Rh6' C266 62.2(5) . . ?
C267 Rh6' C266 37.2(3) . . ?
C265 Rh6' C266 37.1(3) . . ?
N17 Rh6' N12 85.8(4) . . ?
N11 Rh6' N12 75.6(4) . . ?
C268 Rh6' N12 130.9(5) . . ?
C269 Rh6' N12 157.7(5) . . ?
C267 Rh6' N12 98.2(5) . . ?
C265 Rh6' N12 125.6(5) . . ?
C266 Rh6' N12 95.8(5) . . ?
C266 C265 C269 108.0 . . ?
C266 C265 C270 126.0 . . ?
C269 C265 C270 126.0 . . ?
C266 C265 Rh6' 71.6(5) . . ?
C269 C265 Rh6' 70.8(5) . . ?
C270 C265 Rh6' 123.3(5) . . ?
C267 C266 C265 108.0 . . ?
C267 C266 C271 126.0 . . ?
C265 C266 C271 126.0 . . ?
C267 C266 Rh6' 70.9(5) . . ?
C265 C266 Rh6' 71.3(6) . . ?
C271 C266 Rh6' 123.4(5) . . ?
C266 C267 C268 108.0 . . ?
C266 C267 C272 126.0 . . ?
C268 C267 C272 126.0 . . ?
C266 C267 Rh6' 71.9(5) . . ?
C268 C267 Rh6' 70.9(5) . . ?
C272 C267 Rh6' 122.9(5) . . ?
C269 C268 C267 108.0 . . ?
C269 C268 C273 126.0 . . ?
C267 C268 C273 126.0 . . ?
C269 C268 Rh6' 71.5(6) . . ?
C267 C268 Rh6' 71.7(5) . . ?
C273 C268 Rh6' 122.5(5) . . ?
C268 C269 C265 108.0 . . ?
C268 C269 C274 126.0 . . ?
C265 C269 C274 126.0 . . ?
C268 C269 Rh6' 71.0(5) . . ?
C265 C269 Rh6' 71.9(5) . . ?
C274 C269 Rh6' 122.7(5) . . ?
C265 C270 H27A 109.5 . . ?
C265 C270 H27B 109.5 . . ?
H27A C270 H27B 109.5 . . ?
C265 C270 H27C 109.5 . . ?
H27A C270 H27C 109.5 . . ?
H27B C270 H27C 109.5 . . ?
C266 C271 H27D 109.5 . . ?
C266 C271 H27E 109.5 . . ?
H27D C271 H27E 109.5 . . ?
C266 C271 H27F 109.5 . . ?
H27D C271 H27F 109.5 . . ?
H27E C271 H27F 109.5 . . ?
C267 C272 H27G 109.5 . . ?
C267 C272 H27H 109.5 . . ?
H27G C272 H27H 109.5 . . ?
C267 C272 H27I 109.5 . . ?
H27G C272 H27I 109.5 . . ?
H27H C272 H27I 109.5 . . ?
C268 C273 H27J 109.5 . . ?
C268 C273 H27K 109.5 . . ?
H27J C273 H27K 109.5 . . ?
C268 C273 H27L 109.5 . . ?
H27J C273 H27L 109.5 . . ?
H27K C273 H27L 109.5 . . ?
C269 C274 H27M 109.5 . . ?
C269 C274 H27N 109.5 . . ?
H27M C274 H27N 109.5 . . ?
C269 C274 H27O 109.5 . . ?
H27M C274 H27O 109.5 . . ?
H27N C274 H27O 109.5 . . ?
C1 N1 C14 103.4(6) . . ?
C1 N1 Rh1 106.8(4) . . ?
C14 N1 Rh1 148.4(4) . . ?
C2 N2 C3 102.8(6) . . ?
C2 N2 Rh1 107.5(4) . . ?
C3 N2 Rh1 149.6(6) . . ?
C2 N3 C8 101.2(6) . . ?
C2 N3 Rh2 107.9(4) . . ?
C8 N3 Rh2 150.2(5) . . ?
C1 N4 C9 103.7(5) . . ?
C1 N4 Rh2 108.6(4) . . ?
C9 N4 Rh2 147.0(5) . . ?
C15 N5 C28 103.9(6) . . ?
C15 N5 Rh3 107.7(4) . . ?
C28 N5 Rh3 148.1(5) . . ?
C16 N6 C17 103.4(6) . . ?
C16 N6 Rh3 105.4(4) . . ?
C17 N6 Rh3 150.1(4) . . ?
C16 N7 C22 102.9(5) . . ?
C16 N7 Rh4' 117.0(5) . . ?
C22 N7 Rh4' 139.9(6) . . ?
C16 N7 Rh4 105.6(4) . . ?
C22 N7 Rh4 150.1(5) . . ?
C15 N8 C23 101.8(6) . . ?
C15 N8 Rh4 108.6(5) . . ?
C23 N8 Rh4 148.0(5) . . ?
C15 N8 Rh4' 106.5(5) . . ?
C23 N8 Rh4' 151.6(5) . . ?
C29 N9 C42 103.9(6) . . ?
C29 N9 Rh5 108.8(5) . . ?
C42 N9 Rh5 147.0(5) . . ?
C30 N10 C31 103.5(6) . . ?
C30 N10 Rh5 106.6(5) . . ?
C31 N10 Rh5 149.1(5) . . ?
C30 N11 C36 104.0(6) . . ?
C30 N11 Rh6' 115.4(7) . . ?
C36 N11 Rh6' 140.5(7) . . ?
C30 N11 Rh6 104.6(5) . . ?
C36 N11 Rh6 150.5(6) . . ?
C29 N12 C37 101.7(7) . . ?
C29 N12 Rh6 109.5(5) . . ?
C37 N12 Rh6 147.8(5) . . ?
C29 N12 Rh6' 106.0(6) . . ?
C37 N12 Rh6' 152.2(5) . . ?
C47 N13 C43 118.7(6) . . ?
C47 N13 Rh2 119.5(5) . . ?
C43 N13 Rh2 121.6(4) . . ?
C66 N14 C62 117.9(6) . . ?
C66 N14 Rh3 120.8(4) . . ?
C62 N14 Rh3 119.4(5) . . ?
C67 N15 C71 118.1(6) . . ?
C67 N15 Rh4' 116.1(5) . . ?
C71 N15 Rh4' 125.1(6) . . ?
C67 N15 Rh4 125.6(5) . . ?
C71 N15 Rh4 116.2(5) . . ?
C90 N16 C86 118.6(6) . . ?
C90 N16 Rh5 120.6(4) . . ?
C86 N16 Rh5 119.0(4) . . ?
C95 N17 C91 117.5(7) . . ?
C95 N17 Rh6' 126.7(7) . . ?
C91 N17 Rh6' 115.2(6) . . ?
C95 N17 Rh6 117.3(6) . . ?
C91 N17 Rh6 125.2(5) . . ?
C110 N18 C114 118.2(6) . . ?
C110 N18 Rh1 120.4(4) . . ?
C114 N18 Rh1 119.7(4) . . ?
C48 O1 C49 117.3(5) . . ?
C61 O3 C60 115.8(6) . . ?
C72 O5 C73 116.7(5) . . ?
C85 O7 C84 116.5(6) . . ?
C96 O9 C97 117.5(5) . . ?
C109 O11 C108 115.9(5) . . ?
O15 S1 O14 116.4(5) . . ?
O15 S1 O13 115.0(4) . . ?
O14 S1 O13 112.9(5) . . ?
O15 S1 C175 103.7(5) . . ?
O14 S1 C175 103.2(5) . . ?
O13 S1 C175 103.4(4) . . ?
O18 S2 O16 116.4(6) . . ?
O18 S2 O17 113.2(5) . . ?
O16 S2 O17 113.8(5) . . ?
O18 S2 C176 101.8(5) . . ?
O16 S2 C176 106.3(6) . . ?
O17 S2 C176 103.3(5) . . ?
O21 S3 O19 115.3(5) . . ?
O21 S3 O20 113.7(5) . . ?
O19 S3 O20 115.1(4) . . ?
O21 S3 C177 102.8(5) . . ?
O19 S3 C177 104.7(6) . . ?
O20 S3 C177 103.0(5) . . ?
O22 S4 O23 114.1(5) . . ?
O22 S4 O24 118.8(6) . . ?
O23 S4 O24 111.8(6) . . ?
O22 S4 C178 106.2(5) . . ?
O23 S4 C178 103.2(5) . . ?
O24 S4 C178 100.2(5) . . ?
N1 C1 N4 117.4(6) . . ?
N1 C1 C2 120.6(7) . . ?
N4 C1 C2 121.6(6) . . ?
N2 C2 N3 118.6(6) . . ?
N2 C2 C1 122.1(6) . . ?
N3 C2 C1 119.1(7) . . ?
C4 C3 N2 130.8(8) . . ?
C4 C3 C8 120.6(7) . . ?
N2 C3 C8 108.5(7) . . ?
C5 C4 C3 117.6(10) . . ?
C5 C4 H4 121.2 . . ?
C3 C4 H4 121.2 . . ?
C4 C5 C6 121.7(10) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C7 C6 C5 122.1(8) . . ?
C7 C6 H6 118.9 . . ?
C5 C6 H6 118.9 . . ?
C6 C7 C8 116.0(10) . . ?
C6 C7 H7 122.0 . . ?
C8 C7 H7 122.0 . . ?
N3 C8 C7 129.2(9) . . ?
N3 C8 C3 108.8(6) . . ?
C7 C8 C3 121.8(8) . . ?
C10 C9 N4 132.0(7) . . ?
C10 C9 C14 121.5(6) . . ?
N4 C9 C14 106.5(6) . . ?
C11 C10 C9 118.8(8) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C10 C11 C12 120.4(8) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C13 C12 C11 122.5(7) . . ?
C13 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
C12 C13 C14 116.8(7) . . ?
C12 C13 H13 121.6 . . ?
C14 C13 H13 121.6 . . ?
N1 C14 C13 131.1(6) . . ?
N1 C14 C9 108.8(5) . . ?
C13 C14 C9 120.0(6) . . ?
N5 C15 N8 118.4(6) . . ?
N5 C15 C16 121.2(6) . . ?
N8 C15 C16 119.9(7) . . ?
N6 C16 N7 116.6(6) . . ?
N6 C16 C15 122.6(6) . . ?
N7 C16 C15 120.6(6) . . ?
N6 C17 C22 108.8(6) . . ?
N6 C17 C18 130.4(7) . . ?
C22 C17 C18 120.9(7) . . ?
C19 C18 C17 117.2(8) . . ?
C19 C18 H18 121.4 . . ?
C17 C18 H18 121.4 . . ?
C18 C19 C20 122.7(8) . . ?
C18 C19 H19 118.7 . . ?
C20 C19 H19 118.7 . . ?
C19 C20 C21 121.8(9) . . ?
C19 C20 H20 119.1 . . ?
C21 C20 H20 119.1 . . ?
C20 C21 C22 116.1(8) . . ?
C20 C21 H21 121.9 . . ?
C22 C21 H21 121.9 . . ?
N7 C22 C17 108.4(6) . . ?
N7 C22 C21 130.2(7) . . ?
C17 C22 C21 121.2(7) . . ?
N8 C23 C24 131.7(8) . . ?
N8 C23 C28 108.8(6) . . ?
C24 C23 C28 119.1(8) . . ?
C25 C24 C23 118.0(8) . . ?
C25 C24 H24 121.0 . . ?
C23 C24 H24 121.0 . . ?
C24 C25 C26 122.2(8) . . ?
C24 C25 H25 118.9 . . ?
C26 C25 H25 118.9 . . ?
C25 C26 C27 123.0(9) . . ?
C25 C26 H26 118.5 . . ?
C27 C26 H26 118.5 . . ?
C26 C27 C28 115.2(8) . . ?
C26 C27 H27 122.4 . . ?
C28 C27 H27 122.4 . . ?
N5 C28 C27 130.6(7) . . ?
N5 C28 C23 107.1(7) . . ?
C27 C28 C23 122.4(7) . . ?
N9 C29 N12 118.8(7) . . ?
N9 C29 C30 121.8(7) . . ?
N12 C29 C30 119.1(8) . . ?
N11 C30 N10 116.9(7) . . ?
N11 C30 C29 122.7(7) . . ?
N10 C30 C29 120.3(6) . . ?
N10 C31 C32 132.7(6) . . ?
N10 C31 C36 108.3(6) . . ?
C32 C31 C36 119.0(7) . . ?
C33 C32 C31 118.4(7) . . ?
C33 C32 H32 120.8 . . ?
C31 C32 H32 120.8 . . ?
C32 C33 C34 123.6(8) . . ?
C32 C33 H33 118.2 . . ?
C34 C33 H33 118.2 . . ?
C33 C34 C35 119.3(9) . . ?
C33 C34 H34 120.3 . . ?
C35 C34 H34 120.3 . . ?
C36 C35 C34 119.5(8) . . ?
C36 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?
C35 C36 N11 132.4(7) . . ?
C35 C36 C31 120.2(8) . . ?
N11 C36 C31 107.4(7) . . ?
N12 C37 C38 131.3(9) . . ?
N12 C37 C42 108.5(6) . . ?
C38 C37 C42 120.1(9) . . ?
C39 C38 C37 117.4(9) . . ?
C39 C38 H38 121.3 . . ?
C37 C38 H38 121.3 . . ?
C38 C39 C40 121.6(9) . . ?
C38 C39 H39 119.2 . . ?
C40 C39 H39 119.2 . . ?
C41 C40 C39 121.3(10) . . ?
C41 C40 H40 119.3 . . ?
C39 C40 H40 119.3 . . ?
C40 C41 C42 118.1(9) . . ?
C40 C41 H41 120.9 . . ?
C42 C41 H41 120.9 . . ?
C41 C42 N9 131.4(7) . . ?
C41 C42 C37 121.4(7) . . ?
N9 C42 C37 107.0(7) . . ?
N13 C43 C44 122.2(6) . . ?
N13 C43 H43 118.9 . . ?
C44 C43 H43 118.9 . . ?
C45 C44 C43 117.5(7) . . ?
C45 C44 H44 121.3 . . ?
C43 C44 H44 121.3 . . ?
C46 C45 C44 120.2(7) . . ?
C46 C45 C48 118.3(6) . . ?
C44 C45 C48 121.4(7) . . ?
C47 C46 C45 118.0(6) . . ?
C47 C46 H46 121.0 . . ?
C45 C46 H46 121.0 . . ?
N13 C47 C46 123.3(7) . . ?
N13 C47 H47 118.4 . . ?
C46 C47 H47 118.4 . . ?
O2 C48 O1 124.8(7) . . ?
O2 C48 C45 124.1(6) . . ?
O1 C48 C45 111.1(6) . . ?
O1 C49 C50 109.4(5) . . ?
O1 C49 H49A 109.8 . . ?
C50 C49 H49A 109.8 . . ?
O1 C49 H49B 109.8 . . ?
C50 C49 H49B 109.8 . . ?
H49A C49 H49B 108.2 . . ?
C51 C50 C59 120.7(6) . . ?
C51 C50 C49 122.2(6) . . ?
C59 C50 C49 117.0(6) . . ?
C50 C51 C52 119.5(6) . . ?
C50 C51 H51 120.2 . . ?
C52 C51 H51 120.2 . . ?
C53 C52 C57 119.2(6) . . ?
C53 C52 C51 121.6(6) . . ?
C57 C52 C51 119.2(6) . . ?
C54 C53 C52 120.7(6) . . ?
C54 C53 H53 119.6 . . ?
C52 C53 H53 119.6 . . ?
C53 C54 C55 120.9(6) . . ?
C53 C54 H54 119.5 . . ?
C55 C54 H54 119.5 . . ?
C56 C55 C54 119.2(6) . . ?
C56 C55 C60 121.9(7) . . ?
C54 C55 C60 118.9(6) . . ?
C55 C56 C57 121.2(6) . . ?
C55 C56 H56 119.4 . . ?
C57 C56 H56 119.4 . . ?
C58 C57 C56 122.4(6) . . ?
C58 C57 C52 118.8(6) . . ?
C56 C57 C52 118.8(6) . . ?
C59 C58 C57 120.6(6) . . ?
C59 C58 H58 119.7 . . ?
C57 C58 H58 119.7 . . ?
C58 C59 C50 121.1(6) . . ?
C58 C59 H59 119.5 . . ?
C50 C59 H59 119.5 . . ?
O3 C60 C55 109.5(5) . . ?
O3 C60 H60A 109.8 . . ?
C55 C60 H60A 109.8 . . ?
O3 C60 H60B 109.8 . . ?
C55 C60 H60B 109.8 . . ?
H60A C60 H60B 108.2 . . ?
O4 C61 O3 123.8(6) . . ?
O4 C61 C64 124.7(6) . . ?
O3 C61 C64 111.5(6) . . ?
N14 C62 C63 121.4(6) . . ?
N14 C62 H62 119.3 . . ?
C63 C62 H62 119.3 . . ?
C62 C63 C64 119.8(6) . . ?
C62 C63 H63 120.1 . . ?
C64 C63 H63 120.1 . . ?
C63 C64 C65 118.6(6) . . ?
C63 C64 C61 123.7(6) . . ?
C65 C64 C61 117.7(6) . . ?
C66 C65 C64 118.2(6) . . ?
C66 C65 H65 120.9 . . ?
C64 C65 H65 120.9 . . ?
N14 C66 C65 124.1(6) . . ?
N14 C66 H66 118.0 . . ?
C65 C66 H66 118.0 . . ?
N15 C67 C68 123.1(6) . . ?
N15 C67 H67 118.4 . . ?
C68 C67 H67 118.4 . . ?
C67 C68 C69 118.2(7) . . ?
C67 C68 H68 120.9 . . ?
C69 C68 H68 120.9 . . ?
C70 C69 C68 118.6(7) . . ?
C70 C69 C72 119.7(6) . . ?
C68 C69 C72 121.7(6) . . ?
C69 C70 C71 120.0(7) . . ?
C69 C70 H70 120.0 . . ?
C71 C70 H70 120.0 . . ?
N15 C71 C70 122.0(7) . . ?
N15 C71 H71 119.0 . . ?
C70 C71 H71 119.0 . . ?
O6 C72 O5 125.7(7) . . ?
O6 C72 C69 123.4(7) . . ?
O5 C72 C69 110.8(6) . . ?
O5 C73 C74 108.3(6) . . ?
O5 C73 H73A 110.0 . . ?
C74 C73 H73A 110.0 . . ?
O5 C73 H73B 110.0 . . ?
C74 C73 H73B 110.0 . . ?
H73A C73 H73B 108.4 . . ?
C75 C74 C83 119.5(6) . . ?
C75 C74 C73 123.9(6) . . ?
C83 C74 C73 116.6(6) . . ?
C74 C75 C76 121.1(6) . . ?
C74 C75 H75 119.5 . . ?
C76 C75 H75 119.5 . . ?
C77 C76 C75 122.7(6) . . ?
C77 C76 C81 117.6(6) . . ?
C75 C76 C81 119.7(6) . . ?
C78 C77 C76 122.1(7) . . ?
C78 C77 H77 119.0 . . ?
C76 C77 H77 119.0 . . ?
C77 C78 C79 120.8(6) . . ?
C77 C78 H78 119.6 . . ?
C79 C78 H78 119.6 . . ?
C80 C79 C78 118.5(6) . . ?
C80 C79 C84 122.0(7) . . ?
C78 C79 C84 119.4(6) . . ?
C79 C80 C81 121.0(7) . . ?
C79 C80 H80 119.5 . . ?
C81 C80 H80 119.5 . . ?
C82 C81 C80 122.4(6) . . ?
C82 C81 C76 117.7(6) . . ?
C80 C81 C76 119.9(6) . . ?
C83 C82 C81 121.7(6) . . ?
C83 C82 H82 119.1 . . ?
C81 C82 H82 119.1 . . ?
C82 C83 C74 120.2(6) . . ?
C82 C83 H83 119.9 . . ?
C74 C83 H83 119.9 . . ?
O7 C84 C79 109.7(6) . . ?
O7 C84 H84A 109.7 . . ?
C79 C84 H84A 109.7 . . ?
O7 C84 H84B 109.7 . . ?
C79 C84 H84B 109.7 . . ?
H84A C84 H84B 108.2 . . ?
O8 C85 O7 123.8(6) . . ?
O8 C85 C88 123.5(7) . . ?
O7 C85 C88 112.6(6) . . ?
N16 C86 C87 121.5(6) . . ?
N16 C86 H86 119.2 . . ?
C87 C86 H86 119.2 . . ?
C88 C87 C86 119.6(6) . . ?
C88 C87 H87 120.2 . . ?
C86 C87 H87 120.2 . . ?
C87 C88 C89 118.9(6) . . ?
C87 C88 C85 118.0(6) . . ?
C89 C88 C85 123.1(6) . . ?
C90 C89 C88 119.8(6) . . ?
C90 C89 H89 120.1 . . ?
C88 C89 H89 120.1 . . ?
N16 C90 C89 121.4(6) . . ?
N16 C90 H90 119.3 . . ?
C89 C90 H90 119.3 . . ?
N17 C91 C92 121.6(7) . . ?
N17 C91 H91 119.2 . . ?
C92 C91 H91 119.2 . . ?
C91 C92 C93 119.0(8) . . ?
C91 C92 H92 120.5 . . ?
C93 C92 H92 120.5 . . ?
C94 C93 C92 119.3(7) . . ?
C94 C93 C96 119.2(6) . . ?
C92 C93 C96 121.4(7) . . ?
C93 C94 C95 118.9(7) . . ?
C93 C94 H94 120.6 . . ?
C95 C94 H94 120.6 . . ?
N17 C95 C94 123.7(8) . . ?
N17 C95 H95 118.1 . . ?
C94 C95 H95 118.1 . . ?
O10 C96 O9 123.6(7) . . ?
O10 C96 C93 124.3(7) . . ?
O9 C96 C93 112.1(6) . . ?
O9 C97 C98 109.7(5) . . ?
O9 C97 H97A 109.7 . . ?
C98 C97 H97A 109.7 . . ?
O9 C97 H97B 109.7 . . ?
C98 C97 H97B 109.7 . . ?
H97A C97 H97B 108.2 . . ?
C99 C98 C107 119.2(7) . . ?
C99 C98 C97 123.2(7) . . ?
C107 C98 C97 117.6(6) . . ?
C98 C99 C100 120.7(6) . . ?
C98 C99 H99 119.6 . . ?
C100 C99 H99 119.6 . . ?
C101 C100 C105 118.2(6) . . ?
C101 C100 C99 121.8(6) . . ?
C105 C100 C99 120.0(6) . . ?
C102 C101 C100 120.5(7) . . ?
C102 C101 H101 119.8 . . ?
C100 C101 H101 119.8 . . ?
C101 C102 C103 121.8(6) . . ?
C101 C102 H102 119.1 . . ?
C103 C102 H102 119.1 . . ?
C104 C103 C102 118.7(7) . . ?
C104 C103 C108 120.5(7) . . ?
C102 C103 C108 120.7(6) . . ?
C103 C104 C105 120.8(7) . . ?
C103 C104 H104 119.6 . . ?
C105 C104 H104 119.6 . . ?
C104 C105 C100 120.0(6) . . ?
C104 C105 C106 122.9(6) . . ?
C100 C105 C106 117.1(6) . . ?
C107 C106 C105 121.5(6) . . ?
C107 C106 H106 119.2 . . ?
C105 C106 H106 119.2 . . ?
C106 C107 C98 121.4(6) . . ?
C106 C107 H107 119.3 . . ?
C98 C107 H107 119.3 . . ?
O11 C108 C103 109.1(6) . . ?
O11 C108 H10A 109.9 . . ?
C103 C108 H10A 109.9 . . ?
O11 C108 H10B 109.9 . . ?
C103 C108 H10B 109.9 . . ?
H10A C108 H10B 108.3 . . ?
O12 C109 O11 125.3(6) . . ?
O12 C109 C112 123.5(6) . . ?
O11 C109 C112 111.2(6) . . ?
N18 C110 C111 123.4(6) . . ?
N18 C110 H110 118.3 . . ?
C111 C110 H110 118.3 . . ?
C110 C111 C112 120.1(6) . . ?
C110 C111 H111 120.0 . . ?
C112 C111 H111 120.0 . . ?
C111 C112 C113 116.8(6) . . ?
C111 C112 C109 124.3(6) . . ?
C113 C112 C109 118.9(6) . . ?
C114 C113 C112 119.3(6) . . ?
C114 C113 H113 120.3 . . ?
C112 C113 H113 120.3 . . ?
N18 C114 C113 122.2(6) . . ?
N18 C114 H114 118.9 . . ?
C113 C114 H114 118.9 . . ?
C119 C115 C116 106.5(8) . . ?
C119 C115 C120 126.4(11) . . ?
C116 C115 C120 127.0(11) . . ?
C119 C115 Rh1 70.6(5) . . ?
C116 C115 Rh1 68.5(4) . . ?
C120 C115 Rh1 128.4(6) . . ?
C117 C116 C115 105.8(8) . . ?
C117 C116 C121 126.9(12) . . ?
C115 C116 C121 127.2(11) . . ?
C117 C116 Rh1 71.4(5) . . ?
C115 C116 Rh1 71.7(4) . . ?
C121 C116 Rh1 125.1(7) . . ?
C118 C117 C116 108.8(8) . . ?
C118 C117 C122 127.6(12) . . ?
C116 C117 C122 123.5(12) . . ?
C118 C117 Rh1 70.8(5) . . ?
C116 C117 Rh1 69.8(4) . . ?
C122 C117 Rh1 126.0(7) . . ?
C119 C118 C117 108.9(9) . . ?
C119 C118 C123 126.6(13) . . ?
C117 C118 C123 124.3(12) . . ?
C119 C118 Rh1 72.1(6) . . ?
C117 C118 Rh1 71.0(5) . . ?
C123 C118 Rh1 127.2(7) . . ?
C118 C119 C115 109.9(9) . . ?
C118 C119 C124 123.7(12) . . ?
C115 C119 C124 126.3(11) . . ?
C118 C119 Rh1 70.9(6) . . ?
C115 C119 Rh1 71.3(5) . . ?
C124 C119 Rh1 126.2(7) . . ?
C115 C120 H12A 109.5 . . ?
C115 C120 H12B 109.5 . . ?
H12A C120 H12B 109.5 . . ?
C115 C120 H12C 109.5 . . ?
H12A C120 H12C 109.5 . . ?
H12B C120 H12C 109.5 . . ?
C116 C121 H12D 109.5 . . ?
C116 C121 H12E 109.5 . . ?
H12D C121 H12E 109.5 . . ?
C116 C121 H12F 109.5 . . ?
H12D C121 H12F 109.5 . . ?
H12E C121 H12F 109.5 . . ?
C117 C122 H12G 109.5 . . ?
C117 C122 H12H 109.5 . . ?
H12G C122 H12H 109.5 . . ?
C117 C122 H12I 109.5 . . ?
H12G C122 H12I 109.5 . . ?
H12H C122 H12I 109.5 . . ?
C118 C123 H12J 109.5 . . ?
C118 C123 H12K 109.5 . . ?
H12J C123 H12K 109.5 . . ?
C118 C123 H12L 109.5 . . ?
H12J C123 H12L 109.5 . . ?
H12K C123 H12L 109.5 . . ?
C119 C124 H12M 109.5 . . ?
C119 C124 H12N 109.5 . . ?
H12M C124 H12N 109.5 . . ?
C119 C124 H12O 109.5 . . ?
H12M C124 H12O 109.5 . . ?
H12N C124 H12O 109.5 . . ?
C126 C125 C129 107.4(8) . . ?
C126 C125 C130 125.0(8) . . ?
C129 C125 C130 127.6(10) . . ?
C126 C125 Rh2 70.9(5) . . ?
C129 C125 Rh2 68.2(5) . . ?
C130 C125 Rh2 126.5(5) . . ?
C125 C126 C127 107.9(8) . . ?
C125 C126 C131 128.2(8) . . ?
C127 C126 C131 123.8(9) . . ?
C125 C126 Rh2 70.8(4) . . ?
C127 C126 Rh2 70.6(4) . . ?
C131 C126 Rh2 126.8(6) . . ?
C128 C127 C126 108.3(10) . . ?
C128 C127 C132 127.6(10) . . ?
C126 C127 C132 124.1(11) . . ?
C128 C127 Rh2 71.0(5) . . ?
C126 C127 Rh2 70.4(4) . . ?
C132 C127 Rh2 122.2(7) . . ?
C127 C128 C129 109.3(8) . . ?
C127 C128 C133 125.8(13) . . ?
C129 C128 C133 124.9(13) . . ?
C127 C128 Rh2 72.2(5) . . ?
C129 C128 Rh2 68.3(5) . . ?
C133 C128 Rh2 125.4(6) . . ?
C125 C129 C128 107.0(10) . . ?
C125 C129 C134 125.5(11) . . ?
C128 C129 C134 126.9(10) . . ?
C125 C129 Rh2 72.7(5) . . ?
C128 C129 Rh2 72.0(5) . . ?
C134 C129 Rh2 127.6(7) . . ?
C125 C130 H13A 109.5 . . ?
C125 C130 H13B 109.5 . . ?
H13A C130 H13B 109.5 . . ?
C125 C130 H13C 109.5 . . ?
H13A C130 H13C 109.5 . . ?
H13B C130 H13C 109.5 . . ?
C126 C131 H13D 109.5 . . ?
C126 C131 H13E 109.5 . . ?
H13D C131 H13E 109.5 . . ?
C126 C131 H13F 109.5 . . ?
H13D C131 H13F 109.5 . . ?
H13E C131 H13F 109.5 . . ?
C127 C132 H13G 109.5 . . ?
C127 C132 H13H 109.5 . . ?
H13G C132 H13H 109.5 . . ?
C127 C132 H13I 109.5 . . ?
H13G C132 H13I 109.5 . . ?
H13H C132 H13I 109.5 . . ?
C128 C133 H13J 109.5 . . ?
C128 C133 H13K 109.5 . . ?
H13J C133 H13K 109.5 . . ?
C128 C133 H13L 109.5 . . ?
H13J C133 H13L 109.5 . . ?
H13K C133 H13L 109.5 . . ?
C129 C134 H13M 109.5 . . ?
C129 C134 H13N 109.5 . . ?
H13M C134 H13N 109.5 . . ?
C129 C134 H13O 109.5 . . ?
H13M C134 H13O 109.5 . . ?
H13N C134 H13O 109.5 . . ?
C136 C135 C139 109.7(7) . . ?
C136 C135 C140 126.4(8) . . ?
C139 C135 C140 123.9(9) . . ?
C136 C135 Rh3 70.8(4) . . ?
C139 C135 Rh3 69.6(4) . . ?
C140 C135 Rh3 127.3(6) . . ?
C135 C136 C137 107.5(8) . . ?
C135 C136 C141 125.4(8) . . ?
C137 C136 C141 126.8(9) . . ?
C135 C136 Rh3 71.5(5) . . ?
C137 C136 Rh3 69.9(4) . . ?
C141 C136 Rh3 129.3(6) . . ?
C138 C137 C136 107.3(8) . . ?
C138 C137 C142 126.5(8) . . ?
C136 C137 C142 126.0(9) . . ?
C138 C137 Rh3 71.1(5) . . ?
C136 C137 Rh3 70.7(4) . . ?
C142 C137 Rh3 126.0(6) . . ?
C139 C138 C137 109.4(7) . . ?
C139 C138 C143 125.6(9) . . ?
C137 C138 C143 125.0(9) . . ?
C139 C138 Rh3 70.3(4) . . ?
C137 C138 Rh3 70.3(4) . . ?
C143 C138 Rh3 126.7(6) . . ?
C138 C139 C135 105.9(8) . . ?
C138 C139 C144 127.2(8) . . ?
C135 C139 C144 126.6(8) . . ?
C138 C139 Rh3 71.1(5) . . ?
C135 C139 Rh3 71.1(4) . . ?
C144 C139 Rh3 126.8(6) . . ?
C135 C140 H14A 109.5 . . ?
C135 C140 H14B 109.5 . . ?
H14A C140 H14B 109.5 . . ?
C135 C140 H14C 109.5 . . ?
H14A C140 H14C 109.5 . . ?
H14B C140 H14C 109.5 . . ?
C136 C141 H14D 109.5 . . ?
C136 C141 H14E 109.5 . . ?
H14D C141 H14E 109.5 . . ?
C136 C141 H14F 109.5 . . ?
H14D C141 H14F 109.5 . . ?
H14E C141 H14F 109.5 . . ?
C137 C142 H14G 109.5 . . ?
C137 C142 H14H 109.5 . . ?
H14G C142 H14H 109.5 . . ?
C137 C142 H14I 109.5 . . ?
H14G C142 H14I 109.5 . . ?
H14H C142 H14I 109.5 . . ?
C138 C143 H14J 109.5 . . ?
C138 C143 H14K 109.5 . . ?
H14J C143 H14K 109.5 . . ?
C138 C143 H14L 109.5 . . ?
H14J C143 H14L 109.5 . . ?
H14K C143 H14L 109.5 . . ?
C139 C144 H14M 109.5 . . ?
C139 C144 H14N 109.5 . . ?
H14M C144 H14N 109.5 . . ?
C139 C144 H14O 109.5 . . ?
H14M C144 H14O 109.5 . . ?
H14N C144 H14O 109.5 . . ?
C159 C155 C156 107.3(8) . . ?
C159 C155 C160 123.8(9) . . ?
C156 C155 C160 128.7(9) . . ?
C159 C155 Rh5 71.4(5) . . ?
C156 C155 Rh5 70.3(4) . . ?
C160 C155 Rh5 127.8(6) . . ?
C155 C156 C157 108.5(8) . . ?
C155 C156 C161 125.1(10) . . ?
C157 C156 C161 126.4(10) . . ?
C155 C156 Rh5 71.1(4) . . ?
C157 C156 Rh5 71.1(4) . . ?
C161 C156 Rh5 123.8(7) . . ?
C156 C157 C158 108.5(8) . . ?
C156 C157 C162 126.2(10) . . ?
C158 C157 C162 125.4(10) . . ?
C156 C157 Rh5 70.1(4) . . ?
C158 C157 Rh5 71.2(4) . . ?
C162 C157 Rh5 125.0(6) . . ?
C157 C158 C159 105.6(8) . . ?
C157 C158 C163 127.3(10) . . ?
C159 C158 C163 127.0(10) . . ?
C157 C158 Rh5 70.1(5) . . ?
C159 C158 Rh5 70.2(4) . . ?
C163 C158 Rh5 127.7(6) . . ?
C155 C159 C158 110.1(7) . . ?
C155 C159 C164 127.7(9) . . ?
C158 C159 C164 122.1(9) . . ?
C155 C159 Rh5 70.6(4) . . ?
C158 C159 Rh5 70.9(5) . . ?
C164 C159 Rh5 127.4(6) . . ?
C155 C160 H16A 109.5 . . ?
C155 C160 H16B 109.5 . . ?
H16A C160 H16B 109.5 . . ?
C155 C160 H16C 109.5 . . ?
H16A C160 H16C 109.5 . . ?
H16B C160 H16C 109.5 . . ?
C156 C161 H16D 109.5 . . ?
C156 C161 H16E 109.5 . . ?
H16D C161 H16E 109.5 . . ?
C156 C161 H16F 109.5 . . ?
H16D C161 H16F 109.5 . . ?
H16E C161 H16F 109.5 . . ?
C157 C162 H16G 109.5 . . ?
C157 C162 H16H 109.5 . . ?
H16G C162 H16H 109.5 . . ?
C157 C162 H16I 109.5 . . ?
H16G C162 H16I 109.5 . . ?
H16H C162 H16I 109.5 . . ?
C158 C163 H16J 109.5 . . ?
C158 C163 H16K 109.5 . . ?
H16J C163 H16K 109.5 . . ?
C158 C163 H16L 109.5 . . ?
H16J C163 H16L 109.5 . . ?
H16K C163 H16L 109.5 . . ?
C159 C164 H16M 109.5 . . ?
C159 C164 H16N 109.5 . . ?
H16M C164 H16N 109.5 . . ?
C159 C164 H16O 109.5 . . ?
H16M C164 H16O 109.5 . . ?
H16N C164 H16O 109.5 . . ?
F1 C175 F2 108.3(8) . . ?
F1 C175 F3 107.4(10) . . ?
F2 C175 F3 104.7(8) . . ?
F1 C175 S1 113.0(7) . . ?
F2 C175 S1 111.9(8) . . ?
F3 C175 S1 111.2(7) . . ?
F5 C176 F6 107.9(9) . . ?
F5 C176 F4 107.7(12) . . ?
F6 C176 F4 107.1(9) . . ?
F5 C176 S2 112.5(8) . . ?
F6 C176 S2 110.8(10) . . ?
F4 C176 S2 110.6(8) . . ?
F8 C177 F9 109.2(10) . . ?
F8 C177 F7 109.3(11) . . ?
F9 C177 F7 106.1(9) . . ?
F8 C177 S3 111.7(8) . . ?
F9 C177 S3 110.6(9) . . ?
F7 C177 S3 109.7(9) . . ?
F11 C178 F10 105.9(9) . . ?
F11 C178 F12 107.2(10) . . ?
F10 C178 F12 105.3(9) . . ?
F11 C178 S4 114.9(7) . . ?
F10 C178 S4 111.7(7) . . ?
F12 C178 S4 111.1(8) . . ?
O26 S5 O27 111(3) . . ?
O26 S5 O25 115(6) . . ?
O27 S5 O25 114(2) . . ?
O26 S5 C179 106(6) . . ?
O27 S5 C179 99.0(16) . . ?
O25 S5 C179 110(3) . . ?
F15 C179 F13 106(3) . . ?
F15 C179 F14 111(3) . . ?
F13 C179 F14 103.0(17) . . ?
F15 C179 S5 107(2) . . ?
F13 C179 S5 114(2) . . ?
F14 C179 S5 115(2) . . ?
O26' S5' O25' 117(5) . . ?
O26' S5' O27' 114.3(19) . . ?
O25' S5' O27' 113(2) . . ?
O26' S5' C279 106(5) . . ?
O25' S5' C279 105(2) . . ?
O27' S5' C279 99.6(11) . . ?
F15' C279 F13' 128(3) . . ?
F15' C279 F14' 136(3) . . ?
F13' C279 F14' 91(2) . . ?
F15' C279 S5' 99(2) . . ?
F13' C279 S5' 95(2) . . ?
F14' C279 S5' 96(2) . . ?
C182 C181 H18A 109.5 . . ?
C182 C181 H18B 109.5 . . ?
H18A C181 H18B 109.5 . . ?
C182 C181 H18C 109.5 . . ?
H18A C181 H18C 109.5 . . ?
H18B C181 H18C 109.5 . . ?
C183 C182 O31 113.9(18) . . ?
C183 C182 C181 115.9(18) . . ?
O31 C182 C181 100.5(17) . . ?
C183 C182 H182 108.7 . . ?
O31 C182 H182 108.7 . . ?
C181 C182 H182 108.7 . . ?
C182 C183 H18D 109.5 . . ?
C182 C183 H18E 109.5 . . ?
H18D C183 H18E 109.5 . . ?
C182 C183 H18F 109.5 . . ?
H18D C183 H18F 109.5 . . ?
H18E C183 H18F 109.5 . . ?
C185 C184 H18G 109.5 . . ?
C185 C184 H18H 109.5 . . ?
H18G C184 H18H 109.5 . . ?
C185 C184 H18I 109.5 . . ?
H18G C184 H18I 109.5 . . ?
H18H C184 H18I 109.5 . . ?
O31 C185 C184 102(2) . . ?
O31 C185 C186 121(3) . . ?
C184 C185 C186 105(2) . . ?
O31 C185 H185 109.2 . . ?
C184 C185 H185 109.2 . . ?
C186 C185 H185 109.2 . . ?
C185 C186 H18J 109.5 . . ?
C185 C186 H18K 109.5 . . ?
H18J C186 H18K 109.5 . . ?
C185 C186 H18L 109.5 . . ?
H18J C186 H18L 109.5 . . ?
H18K C186 H18L 109.5 . . ?
C182 O31 C185 111(2) . . ?
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 C116 2.119(8) . ?
Rh1 N18 2.123(5) . ?
Rh1 C118 2.136(9) . ?
Rh1 C117 2.139(8) . ?
Rh1 C119 2.152(9) . ?
Rh1 N2 2.154(6) . ?
Rh1 C115 2.162(7) . ?
Rh1 N1 2.188(6) . ?
Rh2 C129 2.115(9) . ?
Rh2 N13 2.122(6) . ?
Rh2 N4 2.153(5) . ?
Rh2 C128 2.164(8) . ?
Rh2 C125 2.174(8) . ?
Rh2 C126 2.175(7) . ?
Rh2 N3 2.178(7) . ?
Rh2 C127 2.178(8) . ?
Rh3 N14 2.122(5) . ?
Rh3 C139 2.147(8) . ?
Rh3 C137 2.147(8) . ?
Rh3 C138 2.158(7) . ?
Rh3 C136 2.159(8) . ?
Rh3 N5 2.160(5) . ?
Rh3 C135 2.167(7) . ?
Rh3 N6 2.196(6) . ?
Rh4 N8 2.096(7) . ?
Rh4 C149 2.135(14) . ?
Rh4 C147 2.138(12) . ?
Rh4 C145 2.139(14) . ?
Rh4 C146 2.169(13) . ?
Rh4 C148 2.178(12) . ?
Rh4 N15 2.186(7) . ?
Rh4 N7 2.195(6) . ?
C145 C146 1.383(15) . ?
C145 C149 1.44(2) . ?
C145 C150 1.55(2) . ?
C146 C151 1.454(14) . ?
C146 C147 1.487(19) . ?
C147 C148 1.409(15) . ?
C147 C152 1.524(19) . ?
C148 C149 1.41(2) . ?
C148 C153 1.508(18) . ?
C149 C154 1.48(2) . ?
C150 H15A 0.9800 . ?
C150 H15B 0.9800 . ?
C150 H15C 0.9800 . ?
C151 H15D 0.9800 . ?
C151 H15E 0.9800 . ?
C151 H15F 0.9800 . ?
C152 H15G 0.9800 . ?
C152 H15H 0.9800 . ?
C152 H15I 0.9800 . ?
C153 H15J 0.9800 . ?
C153 H15K 0.9800 . ?
C153 H15L 0.9800 . ?
C154 H15M 0.9800 . ?
C154 H15N 0.9800 . ?
C154 H15O 0.9800 . ?
Rh4' N15 1.930(10) . ?
Rh4' N7 2.118(7) . ?
Rh4' C249 2.129(14) . ?
Rh4' C248 2.131(12) . ?
Rh4' C245 2.154(15) . ?
Rh4' C247 2.157(13) . ?
Rh4' C246 2.171(14) . ?
Rh4' N8 2.447(13) . ?
C245 C249 1.401(7) . ?
C245 C246 1.401(7) . ?
C245 C250 1.490(8) . ?
C246 C247 1.401(7) . ?
C246 C251 1.489(8) . ?
C247 C248 1.401(7) . ?
C247 C252 1.489(8) . ?
C248 C249 1.401(7) . ?
C248 C253 1.489(8) . ?
C249 C254 1.489(8) . ?
C250 H25A 0.9800 . ?
C250 H25B 0.9800 . ?
C250 H25C 0.9800 . ?
C251 H25D 0.9800 . ?
C251 H25E 0.9800 . ?
C251 H25F 0.9800 . ?
C252 H25G 0.9800 . ?
C252 H25H 0.9800 . ?
C252 H25I 0.9800 . ?
C253 H25J 0.9800 . ?
C253 H25K 0.9800 . ?
C253 H25L 0.9800 . ?
C254 H25M 0.9800 . ?
C254 H25N 0.9800 . ?
C254 H25O 0.9800 . ?
Rh5 N16 2.117(5) . ?
Rh5 C156 2.135(7) . ?
Rh5 C155 2.144(7) . ?
Rh5 C157 2.148(8) . ?
Rh5 C159 2.154(8) . ?
Rh5 N9 2.159(6) . ?
Rh5 C158 2.164(8) . ?
Rh5 N10 2.194(6) . ?
Rh6 N12 2.085(8) . ?
Rh6 C169 2.108(17) . ?
Rh6 C168 2.136(16) . ?
Rh6 C167 2.140(13) . ?
Rh6 C165 2.147(18) . ?
Rh6 C166 2.164(15) . ?
Rh6 N17 2.193(8) . ?
Rh6 N11 2.218(8) . ?
C165 C166 1.396(16) . ?
C165 C169 1.44(3) . ?
C165 C170 1.509(16) . ?
C166 C167 1.487(19) . ?
C166 C171 1.516(15) . ?
C167 C168 1.410(16) . ?
C167 C172 1.49(2) . ?
C168 C169 1.421(16) . ?
C168 C173 1.50(2) . ?
C169 C174 1.47(3) . ?
C170 H17A 0.9800 . ?
C170 H17B 0.9800 . ?
C170 H17C 0.9800 . ?
C171 H17D 0.9800 . ?
C171 H17E 0.9800 . ?
C171 H17F 0.9800 . ?
C172 H17G 0.9800 . ?
C172 H17H 0.9800 . ?
C172 H17I 0.9800 . ?
C173 H17J 0.9800 . ?
C173 H17K 0.9800 . ?
C173 H17L 0.9800 . ?
C174 H17M 0.9800 . ?
C174 H17N 0.9800 . ?
C174 H17O 0.9800 . ?
Rh6' N17 1.961(11) . ?
Rh6' N11 2.089(9) . ?
Rh6' C268 2.173(15) . ?
Rh6' C269 2.179(17) . ?
Rh6' C267 2.184(15) . ?
Rh6' C265 2.194(17) . ?
Rh6' C266 2.197(16) . ?
Rh6' N12 2.409(15) . ?
C265 C266 1.397(8) . ?
C265 C269 1.397(8) . ?
C265 C270 1.485(8) . ?
C266 C267 1.397(8) . ?
C266 C271 1.485(8) . ?
C267 C268 1.397(8) . ?
C267 C272 1.485(8) . ?
C268 C269 1.397(8) . ?
C268 C273 1.485(8) . ?
C269 C274 1.485(8) . ?
C270 H27A 0.9800 . ?
C270 H27B 0.9800 . ?
C270 H27C 0.9800 . ?
C271 H27D 0.9800 . ?
C271 H27E 0.9800 . ?
C271 H27F 0.9800 . ?
C272 H27G 0.9800 . ?
C272 H27H 0.9800 . ?
C272 H27I 0.9800 . ?
C273 H27J 0.9800 . ?
C273 H27K 0.9800 . ?
C273 H27L 0.9800 . ?
C274 H27M 0.9800 . ?
C274 H27N 0.9800 . ?
C274 H27O 0.9800 . ?
N1 C1 1.319(8) . ?
N1 C14 1.375(8) . ?
N2 C2 1.317(9) . ?
N2 C3 1.388(9) . ?
N3 C2 1.361(9) . ?
N3 C8 1.393(10) . ?
N4 C1 1.332(9) . ?
N4 C9 1.391(8) . ?
N5 C15 1.304(10) . ?
N5 C28 1.391(9) . ?
N6 C16 1.320(8) . ?
N6 C17 1.385(9) . ?
N7 C16 1.355(9) . ?
N7 C22 1.381(9) . ?
N8 C15 1.353(8) . ?
N8 C23 1.385(10) . ?
N9 C29 1.308(10) . ?
N9 C42 1.387(9) . ?
N10 C30 1.359(9) . ?
N10 C31 1.370(9) . ?
N11 C30 1.315(9) . ?
N11 C36 1.394(10) . ?
N12 C29 1.336(9) . ?
N12 C37 1.398(11) . ?
N13 C47 1.317(8) . ?
N13 C43 1.341(9) . ?
N14 C66 1.336(9) . ?
N14 C62 1.353(8) . ?
N15 C67 1.346(9) . ?
N15 C71 1.346(9) . ?
N16 C90 1.353(8) . ?
N16 C86 1.366(8) . ?
N17 C95 1.308(9) . ?
N17 C91 1.359(10) . ?
N18 C110 1.332(8) . ?
N18 C114 1.340(8) . ?
O1 C48 1.325(8) . ?
O1 C49 1.471(8) . ?
O2 C48 1.205(8) . ?
O3 C61 1.344(8) . ?
O3 C60 1.462(8) . ?
O4 C61 1.199(8) . ?
O5 C72 1.319(8) . ?
O5 C73 1.453(9) . ?
O6 C72 1.184(9) . ?
O7 C85 1.338(8) . ?
O7 C84 1.471(8) . ?
O8 C85 1.203(8) . ?
O9 C96 1.337(9) . ?
O9 C97 1.446(9) . ?
O10 C96 1.199(9) . ?
O11 C109 1.324(8) . ?
O11 C108 1.480(9) . ?
O12 C109 1.193(8) . ?
O13 S1 1.436(6) . ?
O14 S1 1.430(7) . ?
O15 S1 1.424(6) . ?
O16 S2 1.413(7) . ?
O17 S2 1.425(7) . ?
O18 S2 1.413(8) . ?
O19 S3 1.424(6) . ?
O20 S3 1.430(7) . ?
O21 S3 1.411(8) . ?
O22 S4 1.355(7) . ?
O23 S4 1.443(8) . ?
O24 S4 1.506(8) . ?
S1 C175 1.804(12) . ?
S2 C176 1.826(15) . ?
S3 C177 1.818(14) . ?
S4 C178 1.765(11) . ?
F1 C175 1.308(12) . ?
F2 C175 1.338(10) . ?
F3 C175 1.341(11) . ?
F4 C176 1.340(13) . ?
F5 C176 1.312(13) . ?
F6 C176 1.327(11) . ?
F7 C177 1.347(12) . ?
F8 C177 1.277(13) . ?
F9 C177 1.313(12) . ?
F10 C178 1.332(12) . ?
F11 C178 1.303(11) . ?
F12 C178 1.337(12) . ?
C1 C2 1.414(9) . ?
C3 C4 1.384(11) . ?
C3 C8 1.413(12) . ?
C4 C5 1.380(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.393(16) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(14) . ?
C6 H6 0.9500 . ?
C7 C8 1.399(10) . ?
C7 H7 0.9500 . ?
C9 C10 1.371(10) . ?
C9 C14 1.426(9) . ?
C10 C11 1.363(11) . ?
C10 H10 0.9500 . ?
C11 C12 1.425(12) . ?
C11 H11 0.9500 . ?
C12 C13 1.368(11) . ?
C12 H12 0.9500 . ?
C13 C14 1.411(9) . ?
C13 H13 0.9500 . ?
C15 C16 1.409(10) . ?
C17 C22 1.395(10) . ?
C17 C18 1.405(10) . ?
C18 C19 1.361(12) . ?
C18 H18 0.9500 . ?
C19 C20 1.386(14) . ?
C19 H19 0.9500 . ?
C20 C21 1.388(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.417(12) . ?
C21 H21 0.9500 . ?
C23 C24 1.393(10) . ?
C23 C28 1.427(11) . ?
C24 C25 1.366(11) . ?
C24 H24 0.9500 . ?
C25 C26 1.369(14) . ?
C25 H25 0.9500 . ?
C26 C27 1.387(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.396(11) . ?
C27 H27 0.9500 . ?
C29 C30 1.408(11) . ?
C31 C32 1.402(10) . ?
C31 C36 1.433(10) . ?
C32 C33 1.364(11) . ?
C32 H32 0.9500 . ?
C33 C34 1.372(12) . ?
C33 H33 0.9500 . ?
C34 C35 1.394(14) . ?
C34 H34 0.9500 . ?
C35 C36 1.383(12) . ?
C35 H35 0.9500 . ?
C37 C38 1.400(11) . ?
C37 C42 1.425(11) . ?
C38 C39 1.380(15) . ?
C38 H38 0.9500 . ?
C39 C40 1.414(15) . ?
C39 H39 0.9500 . ?
C40 C41 1.364(12) . ?
C40 H40 0.9500 . ?
C41 C42 1.381(12) . ?
C41 H41 0.9500 . ?
C43 C44 1.391(10) . ?
C43 H43 0.9500 . ?
C44 C45 1.379(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.378(10) . ?
C45 C48 1.512(10) . ?
C46 C47 1.372(10) . ?
C46 H46 0.9500 . ?
C47 H47 0.9500 . ?
C49 C50 1.495(10) . ?
C49 H49A 0.9900 . ?
C49 H49B 0.9900 . ?
C50 C51 1.373(9) . ?
C50 C59 1.385(9) . ?
C51 C52 1.428(9) . ?
C51 H51 0.9500 . ?
C52 C53 1.403(9) . ?
C52 C57 1.418(9) . ?
C53 C54 1.373(10) . ?
C53 H53 0.9500 . ?
C54 C55 1.404(10) . ?
C54 H54 0.9500 . ?
C55 C56 1.379(10) . ?
C55 C60 1.504(10) . ?
C56 C57 1.413(10) . ?
C56 H56 0.9500 . ?
C57 C58 1.404(9) . ?
C58 C59 1.367(10) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C61 C64 1.501(10) . ?
C62 C63 1.373(10) . ?
C62 H62 0.9500 . ?
C63 C64 1.378(9) . ?
C63 H63 0.9500 . ?
C64 C65 1.397(9) . ?
C65 C66 1.351(10) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C68 1.386(10) . ?
C67 H67 0.9500 . ?
C68 C69 1.397(10) . ?
C68 H68 0.9500 . ?
C69 C70 1.379(10) . ?
C69 C72 1.497(10) . ?
C70 C71 1.380(11) . ?
C70 H70 0.9500 . ?
C71 H71 0.9500 . ?
C73 C74 1.501(10) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.364(9) . ?
C74 C83 1.420(10) . ?
C75 C76 1.405(9) . ?
C75 H75 0.9500 . ?
C76 C77 1.404(9) . ?
C76 C81 1.422(9) . ?
C77 C78 1.358(10) . ?
C77 H77 0.9500 . ?
C78 C79 1.425(10) . ?
C78 H78 0.9500 . ?
C79 C80 1.376(9) . ?
C79 C84 1.486(10) . ?
C80 C81 1.416(9) . ?
C80 H80 0.9500 . ?
C81 C82 1.410(9) . ?
C82 C83 1.359(10) . ?
C82 H82 0.9500 . ?
C83 H83 0.9500 . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?
C85 C88 1.484(10) . ?
C86 C87 1.377(9) . ?
C86 H86 0.9500 . ?
C87 C88 1.373(9) . ?
C87 H87 0.9500 . ?
C88 C89 1.387(9) . ?
C89 C90 1.374(9) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 C92 1.373(11) . ?
C91 H91 0.9500 . ?
C92 C93 1.374(10) . ?
C92 H92 0.9500 . ?
C93 C94 1.345(11) . ?
C93 C96 1.497(10) . ?
C94 C95 1.374(11) . ?
C94 H94 0.9500 . ?
C95 H95 0.9500 . ?
C97 C98 1.481(10) . ?
C97 H97A 0.9900 . ?
C97 H97B 0.9900 . ?
C98 C99 1.370(9) . ?
C98 C107 1.412(10) . ?
C99 C100 1.421(10) . ?
C99 H99 0.9500 . ?
C100 C101 1.412(8) . ?
C100 C105 1.421(9) . ?
C101 C102 1.363(10) . ?
C101 H101 0.9500 . ?
C102 C103 1.408(10) . ?
C102 H102 0.9500 . ?
C103 C104 1.381(9) . ?
C103 C108 1.486(10) . ?
C104 C105 1.406(10) . ?
C104 H104 0.9500 . ?
C105 C106 1.429(9) . ?
C106 C107 1.351(10) . ?
C106 H106 0.9500 . ?
C107 H107 0.9500 . ?
C108 H10A 0.9900 . ?
C108 H10B 0.9900 . ?
C109 C112 1.487(10) . ?
C110 C111 1.338(10) . ?
C110 H110 0.9500 . ?
C111 C112 1.397(9) . ?
C111 H111 0.9500 . ?
C112 C113 1.399(9) . ?
C113 C114 1.373(10) . ?
C113 H113 0.9500 . ?
C114 H114 0.9500 . ?
C115 C119 1.408(14) . ?
C115 C116 1.458(14) . ?
C115 C120 1.493(13) . ?
C116 C117 1.414(13) . ?
C116 C121 1.493(15) . ?
C117 C118 1.399(15) . ?
C117 C122 1.505(15) . ?
C118 C119 1.358(15) . ?
C118 C123 1.508(15) . ?
C119 C124 1.523(16) . ?
C120 H12A 0.9800 . ?
C120 H12B 0.9800 . ?
C120 H12C 0.9800 . ?
C121 H12D 0.9800 . ?
C121 H12E 0.9800 . ?
C121 H12F 0.9800 . ?
C122 H12G 0.9800 . ?
C122 H12H 0.9800 . ?
C122 H12I 0.9800 . ?
C123 H12J 0.9800 . ?
C123 H12K 0.9800 . ?
C123 H12L 0.9800 . ?
C124 H12M 0.9800 . ?
C124 H12N 0.9800 . ?
C124 H12O 0.9800 . ?
C125 C126 1.427(13) . ?
C125 C129 1.436(12) . ?
C125 C130 1.480(12) . ?
C126 C127 1.455(11) . ?
C126 C131 1.475(13) . ?
C127 C128 1.370(16) . ?
C127 C132 1.496(17) . ?
C128 C129 1.453(16) . ?
C128 C133 1.526(13) . ?
C129 C134 1.459(17) . ?
C130 H13A 0.9800 . ?
C130 H13B 0.9800 . ?
C130 H13C 0.9800 . ?
C131 H13D 0.9800 . ?
C131 H13E 0.9800 . ?
C131 H13F 0.9800 . ?
C132 H13G 0.9800 . ?
C132 H13H 0.9800 . ?
C132 H13I 0.9800 . ?
C133 H13J 0.9800 . ?
C133 H13K 0.9800 . ?
C133 H13L 0.9800 . ?
C134 H13M 0.9800 . ?
C134 H13N 0.9800 . ?
C134 H13O 0.9800 . ?
C135 C136 1.398(12) . ?
C135 C139 1.454(11) . ?
C135 C140 1.505(11) . ?
C136 C137 1.451(11) . ?
C136 C141 1.476(12) . ?
C137 C138 1.426(13) . ?
C137 C142 1.480(13) . ?
C138 C139 1.423(12) . ?
C138 C143 1.514(11) . ?
C139 C144 1.521(14) . ?
C140 H14A 0.9800 . ?
C140 H14B 0.9800 . ?
C140 H14C 0.9800 . ?
C141 H14D 0.9800 . ?
C141 H14E 0.9800 . ?
C141 H14F 0.9800 . ?
C142 H14G 0.9800 . ?
C142 H14H 0.9800 . ?
C142 H14I 0.9800 . ?
C143 H14J 0.9800 . ?
C143 H14K 0.9800 . ?
C143 H14L 0.9800 . ?
C144 H14M 0.9800 . ?
C144 H14N 0.9800 . ?
C144 H14O 0.9800 . ?
C155 C159 1.398(12) . ?
C155 C156 1.414(12) . ?
C155 C160 1.497(13) . ?
C156 C157 1.421(13) . ?
C156 C161 1.506(14) . ?
C157 C158 1.429(13) . ?
C157 C162 1.505(13) . ?
C158 C159 1.436(12) . ?
C158 C163 1.484(13) . ?
C159 C164 1.491(12) . ?
C160 H16A 0.9800 . ?
C160 H16B 0.9800 . ?
C160 H16C 0.9800 . ?
C161 H16D 0.9800 . ?
C161 H16E 0.9800 . ?
C161 H16F 0.9800 . ?
C162 H16G 0.9800 . ?
C162 H16H 0.9800 . ?
C162 H16I 0.9800 . ?
C163 H16J 0.9800 . ?
C163 H16K 0.9800 . ?
C163 H16L 0.9800 . ?
C164 H16M 0.9800 . ?
C164 H16N 0.9800 . ?
C164 H16O 0.9800 . ?
S5 O26 1.42(2) . ?
S5 O27 1.430(16) . ?
S5 O25 1.431(19) . ?
S5 C179 1.70(4) . ?
C179 F15 1.364(19) . ?
C179 F13 1.370(18) . ?
C179 F14 1.373(19) . ?
S5' O26' 1.43(2) . ?
S5' O25' 1.429(19) . ?
S5' O27' 1.487(15) . ?
S5' C279 1.91(4) . ?
C279 F15' 1.380(17) . ?
C279 F13' 1.387(18) . ?
C279 F14' 1.405(18) . ?
C181 C182 1.50(2) . ?
C181 H18A 0.9800 . ?
C181 H18B 0.9800 . ?
C181 H18C 0.9800 . ?
C182 C183 1.42(2) . ?
C182 O31 1.462(17) . ?
C182 H182 1.0000 . ?
C183 H18D 0.9800 . ?
C183 H18E 0.9800 . ?
C183 H18F 0.9800 . ?
C184 C185 1.59(4) . ?
C184 H18G 0.9800 . ?
C184 H18H 0.9800 . ?
C184 H18I 0.9800 . ?
C185 O31 1.50(2) . ?
C185 C186 1.70(4) . ?
C185 H185 1.0000 . ?
C186 H18J 0.9800 . ?
C186 H18K 0.9800 . ?
C186 H18L 0.9800 . ?
C187 O32 1.399(16) . ?
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
C149 C145 C146 C151 177.3(12) . . . . ?
C150 C145 C146 C151 -2(2) . . . . ?
Rh4 C145 C146 C151 -124.2(13) . . . . ?
C149 C145 C146 C147 2.9(14) . . . . ?
C150 C145 C146 C147 -176.7(13) . . . . ?
Rh4 C145 C146 C147 61.4(7) . . . . ?
C149 C145 C146 Rh4 -58.5(9) . . . . ?
C150 C145 C146 Rh4 122.0(14) . . . . ?
C145 C146 C147 C148 0.2(13) . . . . ?
C151 C146 C147 C148 -174.0(12) . . . . ?
Rh4 C146 C147 C148 62.5(9) . . . . ?
C145 C146 C147 C152 176.8(11) . . . . ?
C151 C146 C147 C152 2.6(18) . . . . ?
Rh4 C146 C147 C152 -120.8(11) . . . . ?
C145 C146 C147 Rh4 -62.4(8) . . . . ?
C151 C146 C147 Rh4 123.4(13) . . . . ?
C146 C147 C148 C149 -3.1(14) . . . . ?
C152 C147 C148 C149 -179.4(12) . . . . ?
Rh4 C147 C148 C149 58.4(9) . . . . ?
C146 C147 C148 C153 177.2(10) . . . . ?
C152 C147 C148 C153 1(2) . . . . ?
Rh4 C147 C148 C153 -121.2(12) . . . . ?
C146 C147 C148 Rh4 -61.6(8) . . . . ?
C152 C147 C148 Rh4 122.2(13) . . . . ?
C147 C148 C149 C145 4.7(14) . . . . ?
C153 C148 C149 C145 -175.7(12) . . . . ?
Rh4 C148 C149 C145 63.2(9) . . . . ?
C147 C148 C149 C154 177.2(13) . . . . ?
C153 C148 C149 C154 -3(2) . . . . ?
Rh4 C148 C149 C154 -124.3(15) . . . . ?
C147 C148 C149 Rh4 -58.5(9) . . . . ?
C153 C148 C149 Rh4 121.1(13) . . . . ?
C146 C145 C149 C148 -4.9(15) . . . . ?
C150 C145 C149 C148 174.7(12) . . . . ?
Rh4 C145 C149 C148 -64.7(9) . . . . ?
C146 C145 C149 C154 -177.2(14) . . . . ?
C150 C145 C149 C154 2(2) . . . . ?
Rh4 C145 C149 C154 123.0(15) . . . . ?
C146 C145 C149 Rh4 59.8(9) . . . . ?
C150 C145 C149 Rh4 -120.6(13) . . . . ?
C249 C245 C246 C247 0.0 . . . . ?
C250 C245 C246 C247 180.0 . . . . ?
Rh4' C245 C246 C247 60.9(5) . . . . ?
C249 C245 C246 C251 180.0 . . . . ?
C250 C245 C246 C251 0.0 . . . . ?
Rh4' C245 C246 C251 -119.1(5) . . . . ?
C249 C245 C246 Rh4' -60.9(5) . . . . ?
C250 C245 C246 Rh4' 119.1(5) . . . . ?
C245 C246 C247 C248 0.0 . . . . ?
C251 C246 C247 C248 180.0 . . . . ?
Rh4' C246 C247 C248 60.8(5) . . . . ?
C245 C246 C247 C252 180.0 . . . . ?
C251 C246 C247 C252 0.0 . . . . ?
Rh4' C246 C247 C252 -119.2(5) . . . . ?
C245 C246 C247 Rh4' -60.8(5) . . . . ?
C251 C246 C247 Rh4' 119.2(5) . . . . ?
C246 C247 C248 C249 0.0 . . . . ?
C252 C247 C248 C249 180.0 . . . . ?
Rh4' C247 C248 C249 61.9(5) . . . . ?
C246 C247 C248 C253 180.0 . . . . ?
C252 C247 C248 C253 0.0 . . . . ?
Rh4' C247 C248 C253 -118.1(5) . . . . ?
C246 C247 C248 Rh4' -61.9(5) . . . . ?
C252 C247 C248 Rh4' 118.1(5) . . . . ?
C246 C245 C249 C248 0.0 . . . . ?
C250 C245 C249 C248 180.0 . . . . ?
Rh4' C245 C249 C248 -62.0(5) . . . . ?
C246 C245 C249 C254 180.0 . . . . ?
C250 C245 C249 C254 0.0 . . . . ?
Rh4' C245 C249 C254 118.0(5) . . . . ?
C246 C245 C249 Rh4' 62.0(5) . . . . ?
C250 C245 C249 Rh4' -118.0(5) . . . . ?
C247 C248 C249 C245 0.0 . . . . ?
C253 C248 C249 C245 180.0 . . . . ?
Rh4' C248 C249 C245 62.7(5) . . . . ?
C247 C248 C249 C254 180.0 . . . . ?
C253 C248 C249 C254 0.0 . . . . ?
Rh4' C248 C249 C254 -117.3(5) . . . . ?
C247 C248 C249 Rh4' -62.7(5) . . . . ?
C253 C248 C249 Rh4' 117.3(5) . . . . ?
C169 C165 C166 C167 1.9(17) . . . . ?
C170 C165 C166 C167 -176.0(14) . . . . ?
Rh6 C165 C166 C167 60.3(9) . . . . ?
C169 C165 C166 C171 176.7(13) . . . . ?
C170 C165 C166 C171 -1(3) . . . . ?
Rh6 C165 C166 C171 -124.9(15) . . . . ?
C169 C165 C166 Rh6 -58.4(12) . . . . ?
C170 C165 C166 Rh6 123.8(17) . . . . ?
C165 C166 C167 C168 -0.8(16) . . . . ?
C171 C166 C167 C168 -175.9(13) . . . . ?
Rh6 C166 C167 C168 60.5(10) . . . . ?
C165 C166 C167 C172 177.9(13) . . . . ?
C171 C166 C167 C172 2.8(19) . . . . ?
Rh6 C166 C167 C172 -120.8(12) . . . . ?
C165 C166 C167 Rh6 -61.3(10) . . . . ?
C171 C166 C167 Rh6 123.6(13) . . . . ?
C166 C167 C168 C169 -0.6(16) . . . . ?
C172 C167 C168 C169 -179.2(13) . . . . ?
Rh6 C167 C168 C169 59.9(11) . . . . ?
C166 C167 C168 C173 176.5(12) . . . . ?
C172 C167 C168 C173 -2(2) . . . . ?
Rh6 C167 C168 C173 -122.9(15) . . . . ?
C166 C167 C168 Rh6 -60.6(9) . . . . ?
C172 C167 C168 Rh6 120.8(15) . . . . ?
C167 C168 C169 C165 1.8(18) . . . . ?
C173 C168 C169 C165 -175.0(15) . . . . ?
Rh6 C168 C169 C165 62.7(11) . . . . ?
C167 C168 C169 C174 173.1(19) . . . . ?
C173 C168 C169 C174 -4(3) . . . . ?
Rh6 C168 C169 C174 -126(2) . . . . ?
C167 C168 C169 Rh6 -60.9(11) . . . . ?
C173 C168 C169 Rh6 122.3(17) . . . . ?
C166 C165 C169 C168 -2.3(18) . . . . ?
C170 C165 C169 C168 175.4(16) . . . . ?
Rh6 C165 C169 C168 -62.6(11) . . . . ?
C166 C165 C169 C174 -174.0(18) . . . . ?
C170 C165 C169 C174 4(3) . . . . ?
Rh6 C165 C169 C174 125.7(19) . . . . ?
C166 C165 C169 Rh6 60.2(12) . . . . ?
C170 C165 C169 Rh6 -122.0(18) . . . . ?
C269 C265 C266 C267 0.0 . . . . ?
C270 C265 C266 C267 180.0 . . . . ?
Rh6' C265 C266 C267 61.8(5) . . . . ?
C269 C265 C266 C271 -180.0 . . . . ?
C270 C265 C266 C271 0.0 . . . . ?
Rh6' C265 C266 C271 -118.2(5) . . . . ?
C269 C265 C266 Rh6' -61.8(5) . . . . ?
C270 C265 C266 Rh6' 118.2(5) . . . . ?
C265 C266 C267 C268 0.0 . . . . ?
C271 C266 C267 C268 180.0 . . . . ?
Rh6' C266 C267 C268 62.1(6) . . . . ?
C265 C266 C267 C272 180.0 . . . . ?
C271 C266 C267 C272 0.0 . . . . ?
Rh6' C266 C267 C272 -117.9(6) . . . . ?
C265 C266 C267 Rh6' -62.1(6) . . . . ?
C271 C266 C267 Rh6' 117.9(6) . . . . ?
C266 C267 C268 C269 0.0 . . . . ?
C272 C267 C268 C269 180.0 . . . . ?
Rh6' C267 C268 C269 62.7(5) . . . . ?
C266 C267 C268 C273 180.0 . . . . ?
C272 C267 C268 C273 0.0 . . . . ?
Rh6' C267 C268 C273 -117.3(5) . . . . ?
C266 C267 C268 Rh6' -62.7(5) . . . . ?
C272 C267 C268 Rh6' 117.3(5) . . . . ?
C267 C268 C269 C265 0.0 . . . . ?
C273 C268 C269 C265 -180.0 . . . . ?
Rh6' C268 C269 C265 62.8(5) . . . . ?
C267 C268 C269 C274 180.0 . . . . ?
C273 C268 C269 C274 0.0 . . . . ?
Rh6' C268 C269 C274 -117.2(5) . . . . ?
C267 C268 C269 Rh6' -62.8(5) . . . . ?
C273 C268 C269 Rh6' 117.2(5) . . . . ?
C266 C265 C269 C268 0.0 . . . . ?
C270 C265 C269 C268 -180.0 . . . . ?
Rh6' C265 C269 C268 -62.3(5) . . . . ?
C266 C265 C269 C274 180.0 . . . . ?
C270 C265 C269 C274 0.0 . . . . ?
Rh6' C265 C269 C274 117.7(5) . . . . ?
C266 C265 C269 Rh6' 62.3(5) . . . . ?
C270 C265 C269 Rh6' -117.7(5) . . . . ?
C14 N1 C1 N4 1.2(7) . . . . ?
Rh1 N1 C1 N4 171.8(4) . . . . ?
C14 N1 C1 C2 174.3(6) . . . . ?
Rh1 N1 C1 C2 -15.0(7) . . . . ?
C9 N4 C1 N1 -1.8(7) . . . . ?
Rh2 N4 C1 N1 -174.7(4) . . . . ?
C9 N4 C1 C2 -174.9(6) . . . . ?
Rh2 N4 C1 C2 12.2(7) . . . . ?
C3 N2 C2 N3 2.3(8) . . . . ?
Rh1 N2 C2 N3 -174.9(4) . . . . ?
C3 N2 C2 C1 -172.8(6) . . . . ?
Rh1 N2 C2 C1 10.0(7) . . . . ?
C8 N3 C2 N2 -2.9(8) . . . . ?
Rh2 N3 C2 N2 170.4(5) . . . . ?
C8 N3 C2 C1 172.3(6) . . . . ?
Rh2 N3 C2 C1 -14.3(7) . . . . ?
N1 C1 C2 N2 3.9(9) . . . . ?
N4 C1 C2 N2 176.8(6) . . . . ?
N1 C1 C2 N3 -171.1(6) . . . . ?
N4 C1 C2 N3 1.7(9) . . . . ?
C2 N2 C3 C4 175.7(8) . . . . ?
Rh1 N2 C3 C4 -9.5(15) . . . . ?
C2 N2 C3 C8 -0.7(7) . . . . ?
Rh1 N2 C3 C8 174.2(7) . . . . ?
N2 C3 C4 C5 -174.9(8) . . . . ?
C8 C3 C4 C5 1.1(12) . . . . ?
C3 C4 C5 C6 0.1(14) . . . . ?
C4 C5 C6 C7 -1.0(16) . . . . ?
C5 C6 C7 C8 0.6(14) . . . . ?
C2 N3 C8 C7 -173.9(7) . . . . ?
Rh2 N3 C8 C7 19.0(14) . . . . ?
C2 N3 C8 C3 2.1(7) . . . . ?
Rh2 N3 C8 C3 -165.0(7) . . . . ?
C6 C7 C8 N3 176.1(7) . . . . ?
C6 C7 C8 C3 0.5(11) . . . . ?
C4 C3 C8 N3 -177.8(6) . . . . ?
N2 C3 C8 N3 -1.0(8) . . . . ?
C4 C3 C8 C7 -1.4(11) . . . . ?
N2 C3 C8 C7 175.3(6) . . . . ?
C1 N4 C9 C10 180.0(8) . . . . ?
Rh2 N4 C9 C10 -12.4(14) . . . . ?
C1 N4 C9 C14 1.6(7) . . . . ?
Rh2 N4 C9 C14 169.2(6) . . . . ?
N4 C9 C10 C11 -176.8(7) . . . . ?
C14 C9 C10 C11 1.4(11) . . . . ?
C9 C10 C11 C12 -1.6(13) . . . . ?
C10 C11 C12 C13 2.5(14) . . . . ?
C11 C12 C13 C14 -2.9(12) . . . . ?
C1 N1 C14 C13 -177.4(7) . . . . ?
Rh1 N1 C14 C13 19.9(13) . . . . ?
C1 N1 C14 C9 0.0(7) . . . . ?
Rh1 N1 C14 C9 -162.7(6) . . . . ?
C12 C13 C14 N1 179.8(7) . . . . ?
C12 C13 C14 C9 2.6(10) . . . . ?
C10 C9 C14 N1 -179.6(6) . . . . ?
N4 C9 C14 N1 -1.1(7) . . . . ?
C10 C9 C14 C13 -1.9(10) . . . . ?
N4 C9 C14 C13 176.7(6) . . . . ?
C28 N5 C15 N8 1.0(8) . . . . ?
Rh3 N5 C15 N8 -175.0(5) . . . . ?
C28 N5 C15 C16 -170.7(6) . . . . ?
Rh3 N5 C15 C16 13.3(8) . . . . ?
C23 N8 C15 N5 0.0(8) . . . . ?
Rh4 N8 C15 N5 169.9(5) . . . . ?
Rh4' N8 C15 N5 178.1(5) . . . . ?
C23 N8 C15 C16 171.8(6) . . . . ?
Rh4 N8 C15 C16 -18.3(7) . . . . ?
Rh4' N8 C15 C16 -10.0(7) . . . . ?
C17 N6 C16 N7 0.6(8) . . . . ?
Rh3 N6 C16 N7 172.2(5) . . . . ?
C17 N6 C16 C15 175.0(6) . . . . ?
Rh3 N6 C16 C15 -13.3(7) . . . . ?
C22 N7 C16 N6 -1.5(8) . . . . ?
Rh4' N7 C16 N6 -177.5(5) . . . . ?
Rh4 N7 C16 N6 -172.2(5) . . . . ?
C22 N7 C16 C15 -176.1(6) . . . . ?
Rh4' N7 C16 C15 7.9(8) . . . . ?
Rh4 N7 C16 C15 13.2(7) . . . . ?
N5 C15 C16 N6 0.3(10) . . . . ?
N8 C15 C16 N6 -171.3(6) . . . . ?
N5 C15 C16 N7 174.5(6) . . . . ?
N8 C15 C16 N7 2.9(10) . . . . ?
C16 N6 C17 C22 0.7(8) . . . . ?
Rh3 N6 C17 C22 -163.1(7) . . . . ?
C16 N6 C17 C18 -178.5(8) . . . . ?
Rh3 N6 C17 C18 17.7(15) . . . . ?
N6 C17 C18 C19 178.7(8) . . . . ?
C22 C17 C18 C19 -0.4(12) . . . . ?
C17 C18 C19 C20 1.1(14) . . . . ?
C18 C19 C20 C21 -3.3(17) . . . . ?
C19 C20 C21 C22 4.4(16) . . . . ?
C16 N7 C22 C17 1.8(8) . . . . ?
Rh4' N7 C22 C17 176.3(6) . . . . ?
Rh4 N7 C22 C17 163.5(8) . . . . ?
C16 N7 C22 C21 177.2(9) . . . . ?
Rh4' N7 C22 C21 -8.3(15) . . . . ?
Rh4 N7 C22 C21 -21.1(17) . . . . ?
N6 C17 C22 N7 -1.6(8) . . . . ?
C18 C17 C22 N7 177.7(7) . . . . ?
N6 C17 C22 C21 -177.5(7) . . . . ?
C18 C17 C22 C21 1.8(12) . . . . ?
C20 C21 C22 N7 -178.5(9) . . . . ?
C20 C21 C22 C17 -3.7(13) . . . . ?
C15 N8 C23 C24 -173.7(8) . . . . ?
Rh4 N8 C23 C24 24.6(14) . . . . ?
Rh4' N8 C23 C24 10.0(16) . . . . ?
C15 N8 C23 C28 -1.0(7) . . . . ?
Rh4 N8 C23 C28 -162.8(7) . . . . ?
Rh4' N8 C23 C28 -177.3(8) . . . . ?
N8 C23 C24 C25 174.6(8) . . . . ?
C28 C23 C24 C25 2.5(11) . . . . ?
C23 C24 C25 C26 -0.3(14) . . . . ?
C24 C25 C26 C27 -2.2(17) . . . . ?
C25 C26 C27 C28 2.1(15) . . . . ?
C15 N5 C28 C27 176.1(8) . . . . ?
Rh3 N5 C28 C27 -11.1(15) . . . . ?
C15 N5 C28 C23 -1.6(7) . . . . ?
Rh3 N5 C28 C23 171.2(7) . . . . ?
C26 C27 C28 N5 -177.2(8) . . . . ?
C26 C27 C28 C23 0.2(12) . . . . ?
N8 C23 C28 N5 1.6(8) . . . . ?
C24 C23 C28 N5 175.4(6) . . . . ?
N8 C23 C28 C27 -176.3(7) . . . . ?
C24 C23 C28 C27 -2.6(11) . . . . ?
C42 N9 C29 N12 1.2(8) . . . . ?
Rh5 N9 C29 N12 -174.4(5) . . . . ?
C42 N9 C29 C30 -171.6(6) . . . . ?
Rh5 N9 C29 C30 12.8(8) . . . . ?
C37 N12 C29 N9 -1.9(8) . . . . ?
Rh6 N12 C29 N9 170.2(5) . . . . ?
Rh6' N12 C29 N9 178.2(6) . . . . ?
C37 N12 C29 C30 171.1(6) . . . . ?
Rh6 N12 C29 C30 -16.8(8) . . . . ?
Rh6' N12 C29 C30 -8.8(8) . . . . ?
C36 N11 C30 N10 0.3(8) . . . . ?
Rh6' N11 C30 N10 -177.6(5) . . . . ?
Rh6 N11 C30 N10 -172.6(5) . . . . ?
C36 N11 C30 C29 -174.4(7) . . . . ?
Rh6' N11 C30 C29 7.7(9) . . . . ?
Rh6 N11 C30 C29 12.7(8) . . . . ?
C31 N10 C30 N11 -0.6(8) . . . . ?
Rh5 N10 C30 N11 172.3(5) . . . . ?
C31 N10 C30 C29 174.2(6) . . . . ?
Rh5 N10 C30 C29 -12.9(7) . . . . ?
N9 C29 C30 N11 174.9(7) . . . . ?
N12 C29 C30 N11 2.1(10) . . . . ?
N9 C29 C30 N10 0.3(10) . . . . ?
N12 C29 C30 N10 -172.5(6) . . . . ?
C30 N10 C31 C32 -176.5(7) . . . . ?
Rh5 N10 C31 C32 16.8(14) . . . . ?
C30 N10 C31 C36 0.7(7) . . . . ?
Rh5 N10 C31 C36 -166.0(7) . . . . ?
N10 C31 C32 C33 179.5(7) . . . . ?
C36 C31 C32 C33 2.5(10) . . . . ?
C31 C32 C33 C34 -2.5(13) . . . . ?
C32 C33 C34 C35 1.2(15) . . . . ?
C33 C34 C35 C36 0.1(14) . . . . ?
C34 C35 C36 N11 -178.0(8) . . . . ?
C34 C35 C36 C31 0.0(13) . . . . ?
C30 N11 C36 C35 178.4(9) . . . . ?
Rh6' N11 C36 C35 -4.6(15) . . . . ?
Rh6 N11 C36 C35 -15.7(17) . . . . ?
C30 N11 C36 C31 0.2(8) . . . . ?
Rh6' N11 C36 C31 177.2(7) . . . . ?
Rh6 N11 C36 C31 166.1(8) . . . . ?
N10 C31 C36 C35 -179.0(7) . . . . ?
C32 C31 C36 C35 -1.3(11) . . . . ?
N10 C31 C36 N11 -0.5(8) . . . . ?
C32 C31 C36 N11 177.1(6) . . . . ?
C29 N12 C37 C38 -174.7(8) . . . . ?
Rh6 N12 C37 C38 19.5(15) . . . . ?
Rh6' N12 C37 C38 5.2(17) . . . . ?
C29 N12 C37 C42 1.8(8) . . . . ?
Rh6 N12 C37 C42 -164.1(7) . . . . ?
Rh6' N12 C37 C42 -178.4(9) . . . . ?
N12 C37 C38 C39 175.8(9) . . . . ?
C42 C37 C38 C39 -0.4(12) . . . . ?
C37 C38 C39 C40 1.2(15) . . . . ?
C38 C39 C40 C41 -1.5(16) . . . . ?
C39 C40 C41 C42 0.9(14) . . . . ?
C40 C41 C42 N9 -174.8(8) . . . . ?
C40 C41 C42 C37 -0.1(12) . . . . ?
C29 N9 C42 C41 175.4(8) . . . . ?
Rh5 N9 C42 C41 -12.2(14) . . . . ?
C29 N9 C42 C37 0.1(7) . . . . ?
Rh5 N9 C42 C37 172.4(7) . . . . ?
N12 C37 C42 C41 -177.1(7) . . . . ?
C38 C37 C42 C41 -0.2(11) . . . . ?
N12 C37 C42 N9 -1.2(8) . . . . ?
C38 C37 C42 N9 175.7(7) . . . . ?
C47 N13 C43 C44 -1.0(11) . . . . ?
Rh2 N13 C43 C44 -177.2(5) . . . . ?
N13 C43 C44 C45 2.1(11) . . . . ?
C43 C44 C45 C46 -1.7(11) . . . . ?
C43 C44 C45 C48 179.4(7) . . . . ?
C44 C45 C46 C47 0.2(12) . . . . ?
C48 C45 C46 C47 179.2(8) . . . . ?
C43 N13 C47 C46 -0.6(12) . . . . ?
Rh2 N13 C47 C46 175.7(7) . . . . ?
C45 C46 C47 N13 1.0(13) . . . . ?
C49 O1 C48 O2 -0.1(12) . . . . ?
C49 O1 C48 C45 -179.4(6) . . . . ?
C46 C45 C48 O2 17.6(13) . . . . ?
C44 C45 C48 O2 -163.4(8) . . . . ?
C46 C45 C48 O1 -163.1(7) . . . . ?
C44 C45 C48 O1 15.9(10) . . . . ?
C48 O1 C49 C50 -150.9(6) . . . . ?
O1 C49 C50 C51 16.5(9) . . . . ?
O1 C49 C50 C59 -163.8(6) . . . . ?
C59 C50 C51 C52 -0.7(10) . . . . ?
C49 C50 C51 C52 178.9(6) . . . . ?
C50 C51 C52 C53 178.8(6) . . . . ?
C50 C51 C52 C57 1.4(9) . . . . ?
C57 C52 C53 C54 -0.1(9) . . . . ?
C51 C52 C53 C54 -177.6(6) . . . . ?
C52 C53 C54 C55 -1.0(10) . . . . ?
C53 C54 C55 C56 1.9(9) . . . . ?
C53 C54 C55 C60 -176.5(6) . . . . ?
C54 C55 C56 C57 -1.8(9) . . . . ?
C60 C55 C56 C57 176.6(6) . . . . ?
C55 C56 C57 C58 -179.9(6) . . . . ?
C55 C56 C57 C52 0.7(9) . . . . ?
C53 C52 C57 C58 -179.2(6) . . . . ?
C51 C52 C57 C58 -1.7(9) . . . . ?
C53 C52 C57 C56 0.3(9) . . . . ?
C51 C52 C57 C56 177.7(6) . . . . ?
C56 C57 C58 C59 -178.1(6) . . . . ?
C52 C57 C58 C59 1.3(10) . . . . ?
C57 C58 C59 C50 -0.6(10) . . . . ?
C51 C50 C59 C58 0.3(10) . . . . ?
C49 C50 C59 C58 -179.4(6) . . . . ?
C61 O3 C60 C55 79.0(7) . . . . ?
C56 C55 C60 O3 -116.5(7) . . . . ?
C54 C55 C60 O3 61.9(8) . . . . ?
C60 O3 C61 O4 5.7(9) . . . . ?
C60 O3 C61 C64 -172.8(5) . . . . ?
C66 N14 C62 C63 -2.5(10) . . . . ?
Rh3 N14 C62 C63 161.8(5) . . . . ?
N14 C62 C63 C64 0.5(10) . . . . ?
C62 C63 C64 C65 0.8(10) . . . . ?
C62 C63 C64 C61 -179.8(6) . . . . ?
O4 C61 C64 C63 173.9(7) . . . . ?
O3 C61 C64 C63 -7.6(9) . . . . ?
O4 C61 C64 C65 -6.8(10) . . . . ?
O3 C61 C64 C65 171.7(6) . . . . ?
C63 C64 C65 C66 -0.1(10) . . . . ?
C61 C64 C65 C66 -179.5(6) . . . . ?
C62 N14 C66 C65 3.4(10) . . . . ?
Rh3 N14 C66 C65 -160.7(5) . . . . ?
C64 C65 C66 N14 -2.1(10) . . . . ?
C71 N15 C67 C68 0.4(10) . . . . ?
Rh4' N15 C67 C68 -170.4(6) . . . . ?
Rh4 N15 C67 C68 -177.3(5) . . . . ?
N15 C67 C68 C69 -0.5(10) . . . . ?
C67 C68 C69 C70 1.1(11) . . . . ?
C67 C68 C69 C72 179.3(7) . . . . ?
C68 C69 C70 C71 -1.8(12) . . . . ?
C72 C69 C70 C71 180.0(7) . . . . ?
C67 N15 C71 C70 -1.1(11) . . . . ?
Rh4' N15 C71 C70 168.8(7) . . . . ?
Rh4 N15 C71 C70 176.8(6) . . . . ?
C69 C70 C71 N15 1.8(13) . . . . ?
C73 O5 C72 O6 1.5(12) . . . . ?
C73 O5 C72 C69 178.8(6) . . . . ?
C70 C69 C72 O6 15.0(13) . . . . ?
C68 C69 C72 O6 -163.2(9) . . . . ?
C70 C69 C72 O5 -162.4(7) . . . . ?
C68 C69 C72 O5 19.5(10) . . . . ?
C72 O5 C73 C74 -150.3(6) . . . . ?
O5 C73 C74 C75 14.3(9) . . . . ?
O5 C73 C74 C83 -165.9(6) . . . . ?
C83 C74 C75 C76 -0.2(10) . . . . ?
C73 C74 C75 C76 179.5(6) . . . . ?
C74 C75 C76 C77 179.8(6) . . . . ?
C74 C75 C76 C81 0.6(10) . . . . ?
C75 C76 C77 C78 -178.1(6) . . . . ?
C81 C76 C77 C78 1.2(10) . . . . ?
C76 C77 C78 C79 -1.8(10) . . . . ?
C77 C78 C79 C80 1.0(10) . . . . ?
C77 C78 C79 C84 -177.7(6) . . . . ?
C78 C79 C80 C81 0.4(9) . . . . ?
C84 C79 C80 C81 179.0(6) . . . . ?
C79 C80 C81 C82 178.6(6) . . . . ?
C79 C80 C81 C76 -1.0(9) . . . . ?
C77 C76 C81 C82 -179.4(6) . . . . ?
C75 C76 C81 C82 -0.1(9) . . . . ?
C77 C76 C81 C80 0.2(9) . . . . ?
C75 C76 C81 C80 179.5(6) . . . . ?
C80 C81 C82 C83 179.7(7) . . . . ?
C76 C81 C82 C83 -0.7(10) . . . . ?
C81 C82 C83 C74 1.0(11) . . . . ?
C75 C74 C83 C82 -0.6(10) . . . . ?
C73 C74 C83 C82 179.7(7) . . . . ?
C85 O7 C84 C79 79.6(8) . . . . ?
C80 C79 C84 O7 -114.7(7) . . . . ?
C78 C79 C84 O7 63.9(8) . . . . ?
C84 O7 C85 O8 3.8(10) . . . . ?
C84 O7 C85 C88 -174.9(5) . . . . ?
C90 N16 C86 C87 1.9(9) . . . . ?
Rh5 N16 C86 C87 -162.9(5) . . . . ?
N16 C86 C87 C88 -0.2(10) . . . . ?
C86 C87 C88 C89 -2.1(9) . . . . ?
C86 C87 C88 C85 179.1(6) . . . . ?
O8 C85 C88 C87 -6.5(10) . . . . ?
O7 C85 C88 C87 172.2(6) . . . . ?
O8 C85 C88 C89 174.7(7) . . . . ?
O7 C85 C88 C89 -6.6(9) . . . . ?
C87 C88 C89 C90 2.7(9) . . . . ?
C85 C88 C89 C90 -178.5(6) . . . . ?
C86 N16 C90 C89 -1.3(9) . . . . ?
Rh5 N16 C90 C89 163.3(5) . . . . ?
C88 C89 C90 N16 -1.0(10) . . . . ?
C95 N17 C91 C92 -1.6(10) . . . . ?
Rh6' N17 C91 C92 -173.0(6) . . . . ?
Rh6 N17 C91 C92 -178.3(5) . . . . ?
N17 C91 C92 C93 1.0(10) . . . . ?
C91 C92 C93 C94 1.1(11) . . . . ?
C91 C92 C93 C96 178.9(7) . . . . ?
C92 C93 C94 C95 -2.5(12) . . . . ?
C96 C93 C94 C95 179.6(7) . . . . ?
C91 N17 C95 C94 0.0(12) . . . . ?
Rh6' N17 C95 C94 170.3(7) . . . . ?
Rh6 N17 C95 C94 177.1(7) . . . . ?
C93 C94 C95 N17 2.1(13) . . . . ?
C97 O9 C96 O10 1.5(11) . . . . ?
C97 O9 C96 C93 -179.3(6) . . . . ?
C94 C93 C96 O10 15.7(13) . . . . ?
C92 C93 C96 O10 -162.1(8) . . . . ?
C94 C93 C96 O9 -163.5(7) . . . . ?
C92 C93 C96 O9 18.7(10) . . . . ?
C96 O9 C97 C98 -154.7(6) . . . . ?
O9 C97 C98 C99 15.6(10) . . . . ?
O9 C97 C98 C107 -166.3(6) . . . . ?
C107 C98 C99 C100 0.8(10) . . . . ?
C97 C98 C99 C100 178.9(6) . . . . ?
C98 C99 C100 C101 179.2(6) . . . . ?
C98 C99 C100 C105 0.3(9) . . . . ?
C105 C100 C101 C102 0.2(9) . . . . ?
C99 C100 C101 C102 -178.7(6) . . . . ?
C100 C101 C102 C103 -1.2(10) . . . . ?
C101 C102 C103 C104 0.8(10) . . . . ?
C101 C102 C103 C108 -176.5(6) . . . . ?
C102 C103 C104 C105 0.6(10) . . . . ?
C108 C103 C104 C105 177.9(6) . . . . ?
C103 C104 C105 C100 -1.5(10) . . . . ?
C103 C104 C105 C106 -179.7(6) . . . . ?
C101 C100 C105 C104 1.1(9) . . . . ?
C99 C100 C105 C104 -179.9(6) . . . . ?
C101 C100 C105 C106 179.4(6) . . . . ?
C99 C100 C105 C106 -1.6(9) . . . . ?
C104 C105 C106 C107 -179.9(7) . . . . ?
C100 C105 C106 C107 1.9(10) . . . . ?
C105 C106 C107 C98 -0.8(11) . . . . ?
C99 C98 C107 C106 -0.6(10) . . . . ?
C97 C98 C107 C106 -178.7(7) . . . . ?
C109 O11 C108 C103 79.1(8) . . . . ?
C104 C103 C108 O11 -113.9(7) . . . . ?
C102 C103 C108 O11 63.4(8) . . . . ?
C108 O11 C109 O12 6.5(10) . . . . ?
C108 O11 C109 C112 -173.3(6) . . . . ?
C114 N18 C110 C111 -2.1(10) . . . . ?
Rh1 N18 C110 C111 162.9(5) . . . . ?
N18 C110 C111 C112 -0.6(10) . . . . ?
C110 C111 C112 C113 2.9(10) . . . . ?
C110 C111 C112 C109 -179.7(6) . . . . ?
O12 C109 C112 C111 178.4(7) . . . . ?
O11 C109 C112 C111 -1.8(9) . . . . ?
O12 C109 C112 C113 -4.3(10) . . . . ?
O11 C109 C112 C113 175.5(6) . . . . ?
C111 C112 C113 C114 -2.5(10) . . . . ?
C109 C112 C113 C114 180.0(6) . . . . ?
C110 N18 C114 C113 2.5(10) . . . . ?
Rh1 N18 C114 C113 -162.6(5) . . . . ?
C112 C113 C114 N18 -0.2(10) . . . . ?
C119 C115 C116 C117 3.0(9) . . . . ?
C120 C115 C116 C117 -173.7(8) . . . . ?
Rh1 C115 C116 C117 63.7(5) . . . . ?
C119 C115 C116 C121 178.8(9) . . . . ?
C120 C115 C116 C121 2.0(14) . . . . ?
Rh1 C115 C116 C121 -120.6(9) . . . . ?
C119 C115 C116 Rh1 -60.7(6) . . . . ?
C120 C115 C116 Rh1 122.6(8) . . . . ?
C115 C116 C117 C118 -3.6(9) . . . . ?
C121 C116 C117 C118 -179.4(9) . . . . ?
Rh1 C116 C117 C118 60.3(6) . . . . ?
C115 C116 C117 C122 175.6(8) . . . . ?
C121 C116 C117 C122 -0.2(14) . . . . ?
Rh1 C116 C117 C122 -120.5(9) . . . . ?
C115 C116 C117 Rh1 -63.9(5) . . . . ?
C121 C116 C117 Rh1 120.3(9) . . . . ?
C116 C117 C118 C119 2.9(10) . . . . ?
C122 C117 C118 C119 -176.3(9) . . . . ?
Rh1 C117 C118 C119 62.6(6) . . . . ?
C116 C117 C118 C123 177.7(9) . . . . ?
C122 C117 C118 C123 -1.4(15) . . . . ?
Rh1 C117 C118 C123 -122.6(10) . . . . ?
C116 C117 C118 Rh1 -59.7(6) . . . . ?
C122 C117 C118 Rh1 121.2(10) . . . . ?
C117 C118 C119 C115 -0.9(10) . . . . ?
C123 C118 C119 C115 -175.6(9) . . . . ?
Rh1 C118 C119 C115 61.0(6) . . . . ?
C117 C118 C119 C124 176.8(9) . . . . ?
C123 C118 C119 C124 2.1(15) . . . . ?
Rh1 C118 C119 C124 -121.4(9) . . . . ?
C117 C118 C119 Rh1 -61.9(6) . . . . ?
C123 C118 C119 Rh1 123.5(10) . . . . ?
C116 C115 C119 C118 -1.4(9) . . . . ?
C120 C115 C119 C118 175.4(8) . . . . ?
Rh1 C115 C119 C118 -60.7(6) . . . . ?
C116 C115 C119 C124 -179.0(9) . . . . ?
C120 C115 C119 C124 -2.2(14) . . . . ?
Rh1 C115 C119 C124 121.7(10) . . . . ?
C116 C115 C119 Rh1 59.3(5) . . . . ?
C120 C115 C119 Rh1 -123.9(8) . . . . ?
C129 C125 C126 C127 2.5(8) . . . . ?
C130 C125 C126 C127 -177.1(7) . . . . ?
Rh2 C125 C126 C127 61.2(5) . . . . ?
C129 C125 C126 C131 179.1(8) . . . . ?
C130 C125 C126 C131 -0.5(13) . . . . ?
Rh2 C125 C126 C131 -122.2(8) . . . . ?
C129 C125 C126 Rh2 -58.7(5) . . . . ?
C130 C125 C126 Rh2 121.7(7) . . . . ?
C125 C126 C127 C128 -0.1(9) . . . . ?
C131 C126 C127 C128 -176.9(8) . . . . ?
Rh2 C126 C127 C128 61.3(6) . . . . ?
C125 C126 C127 C132 -177.5(8) . . . . ?
C131 C126 C127 C132 5.7(13) . . . . ?
Rh2 C126 C127 C132 -116.2(9) . . . . ?
C125 C126 C127 Rh2 -61.3(5) . . . . ?
C131 C126 C127 Rh2 121.9(8) . . . . ?
C126 C127 C128 C129 -2.4(10) . . . . ?
C132 C127 C128 C129 174.9(9) . . . . ?
Rh2 C127 C128 C129 58.4(6) . . . . ?
C126 C127 C128 C133 177.9(8) . . . . ?
C132 C127 C128 C133 -4.8(15) . . . . ?
Rh2 C127 C128 C133 -121.2(9) . . . . ?
C126 C127 C128 Rh2 -60.8(5) . . . . ?
C132 C127 C128 Rh2 116.5(10) . . . . ?
C126 C125 C129 C128 -3.9(9) . . . . ?
C130 C125 C129 C128 175.7(8) . . . . ?
Rh2 C125 C129 C128 -64.3(6) . . . . ?
C126 C125 C129 C134 -175.4(9) . . . . ?
C130 C125 C129 C134 4.2(14) . . . . ?
Rh2 C125 C129 C134 124.2(10) . . . . ?
C126 C125 C129 Rh2 60.4(5) . . . . ?
C130 C125 C129 Rh2 -120.0(8) . . . . ?
C127 C128 C129 C125 4.0(9) . . . . ?
C133 C128 C129 C125 -176.4(8) . . . . ?
Rh2 C128 C129 C125 64.7(5) . . . . ?
C127 C128 C129 C134 175.3(9) . . . . ?
C133 C128 C129 C134 -5.0(14) . . . . ?
Rh2 C128 C129 C134 -123.9(9) . . . . ?
C127 C128 C129 Rh2 -60.8(6) . . . . ?
C133 C128 C129 Rh2 118.9(9) . . . . ?
C139 C135 C136 C137 2.1(9) . . . . ?
C140 C135 C136 C137 -176.3(7) . . . . ?
Rh3 C135 C136 C137 60.9(5) . . . . ?
C139 C135 C136 C141 175.7(7) . . . . ?
C140 C135 C136 C141 -2.8(13) . . . . ?
Rh3 C135 C136 C141 -125.5(8) . . . . ?
C139 C135 C136 Rh3 -58.8(5) . . . . ?
C140 C135 C136 Rh3 122.7(8) . . . . ?
C135 C136 C137 C138 0.0(9) . . . . ?
C141 C136 C137 C138 -173.4(8) . . . . ?
Rh3 C136 C137 C138 62.0(5) . . . . ?
C135 C136 C137 C142 176.9(8) . . . . ?
C141 C136 C137 C142 3.5(13) . . . . ?
Rh3 C136 C137 C142 -121.1(9) . . . . ?
C135 C136 C137 Rh3 -62.0(5) . . . . ?
C141 C136 C137 Rh3 124.6(8) . . . . ?
C136 C137 C138 C139 -2.2(9) . . . . ?
C142 C137 C138 C139 -179.1(8) . . . . ?
Rh3 C137 C138 C139 59.6(6) . . . . ?
C136 C137 C138 C143 176.6(7) . . . . ?
C142 C137 C138 C143 -0.3(13) . . . . ?
Rh3 C137 C138 C143 -121.6(8) . . . . ?
C136 C137 C138 Rh3 -61.8(5) . . . . ?
C142 C137 C138 Rh3 121.3(9) . . . . ?
C137 C138 C139 C135 3.4(9) . . . . ?
C143 C138 C139 C135 -175.4(8) . . . . ?
Rh3 C138 C139 C135 63.0(5) . . . . ?
C137 C138 C139 C144 178.1(8) . . . . ?
C143 C138 C139 C144 -0.7(13) . . . . ?
Rh3 C138 C139 C144 -122.3(9) . . . . ?
C137 C138 C139 Rh3 -59.6(6) . . . . ?
C143 C138 C139 Rh3 121.6(8) . . . . ?
C136 C135 C139 C138 -3.4(9) . . . . ?
C140 C135 C139 C138 175.0(7) . . . . ?
Rh3 C135 C139 C138 -63.0(5) . . . . ?
C136 C135 C139 C144 -178.1(8) . . . . ?
C140 C135 C139 C144 0.3(13) . . . . ?
Rh3 C135 C139 C144 122.3(8) . . . . ?
C136 C135 C139 Rh3 59.6(5) . . . . ?
C140 C135 C139 Rh3 -121.9(7) . . . . ?
C159 C155 C156 C157 -0.6(9) . . . . ?
C160 C155 C156 C157 -175.2(8) . . . . ?
Rh5 C155 C156 C157 61.6(5) . . . . ?
C159 C155 C156 C161 179.2(8) . . . . ?
C160 C155 C156 C161 4.6(13) . . . . ?
Rh5 C155 C156 C161 -118.6(9) . . . . ?
C159 C155 C156 Rh5 -62.2(5) . . . . ?
C160 C155 C156 Rh5 123.2(8) . . . . ?
C155 C156 C157 C158 -0.3(9) . . . . ?
C161 C156 C157 C158 179.8(8) . . . . ?
Rh5 C156 C157 C158 61.2(5) . . . . ?
C155 C156 C157 C162 179.0(8) . . . . ?
C161 C156 C157 C162 -0.8(14) . . . . ?
Rh5 C156 C157 C162 -119.5(9) . . . . ?
C155 C156 C157 Rh5 -61.6(5) . . . . ?
C161 C156 C157 Rh5 118.6(9) . . . . ?
C156 C157 C158 C159 1.1(9) . . . . ?
C162 C157 C158 C159 -178.2(8) . . . . ?
Rh5 C157 C158 C159 61.7(5) . . . . ?
C156 C157 C158 C163 176.7(8) . . . . ?
C162 C157 C158 C163 -2.6(14) . . . . ?
Rh5 C157 C158 C163 -122.8(9) . . . . ?
C156 C157 C158 Rh5 -60.5(5) . . . . ?
C162 C157 C158 Rh5 120.2(9) . . . . ?
C156 C155 C159 C158 1.4(9) . . . . ?
C160 C155 C159 C158 176.3(7) . . . . ?
Rh5 C155 C159 C158 -60.2(6) . . . . ?
C156 C155 C159 C164 -175.7(8) . . . . ?
C160 C155 C159 C164 -0.8(13) . . . . ?
Rh5 C155 C159 C164 122.8(8) . . . . ?
C156 C155 C159 Rh5 61.6(5) . . . . ?
C160 C155 C159 Rh5 -123.5(8) . . . . ?
C157 C158 C159 C155 -1.6(9) . . . . ?
C163 C158 C159 C155 -177.2(8) . . . . ?
Rh5 C158 C159 C155 60.0(5) . . . . ?
C157 C158 C159 C164 175.7(7) . . . . ?
C163 C158 C159 C164 0.1(13) . . . . ?
Rh5 C158 C159 C164 -122.8(8) . . . . ?
C157 C158 C159 Rh5 -61.6(5) . . . . ?
C163 C158 C159 Rh5 122.8(8) . . . . ?
O15 S1 C175 F1 -63.7(8) . . . . ?
O14 S1 C175 F1 174.5(7) . . . . ?
O13 S1 C175 F1 56.7(8) . . . . ?
O15 S1 C175 F2 58.8(8) . . . . ?
O14 S1 C175 F2 -63.0(8) . . . . ?
O13 S1 C175 F2 179.2(7) . . . . ?
O15 S1 C175 F3 175.5(7) . . . . ?
O14 S1 C175 F3 53.6(8) . . . . ?
O13 S1 C175 F3 -64.2(8) . . . . ?
O18 S2 C176 F5 175.9(8) . . . . ?
O16 S2 C176 F5 -61.8(9) . . . . ?
O17 S2 C176 F5 58.2(9) . . . . ?
O18 S2 C176 F6 -63.3(8) . . . . ?
O16 S2 C176 F6 59.1(8) . . . . ?
O17 S2 C176 F6 179.1(7) . . . . ?
O18 S2 C176 F4 55.4(9) . . . . ?
O16 S2 C176 F4 177.8(8) . . . . ?
O17 S2 C176 F4 -62.2(9) . . . . ?
O21 S3 C177 F8 177.5(8) . . . . ?
O19 S3 C177 F8 -61.6(9) . . . . ?
O20 S3 C177 F8 59.1(9) . . . . ?
O21 S3 C177 F9 -60.6(9) . . . . ?
O19 S3 C177 F9 60.3(9) . . . . ?
O20 S3 C177 F9 -179.0(7) . . . . ?
O21 S3 C177 F7 56.2(9) . . . . ?
O19 S3 C177 F7 177.1(8) . . . . ?
O20 S3 C177 F7 -62.2(9) . . . . ?
O22 S4 C178 F11 -172.8(9) . . . . ?
O23 S4 C178 F11 -52.4(10) . . . . ?
O24 S4 C178 F11 63.0(10) . . . . ?
O22 S4 C178 F10 66.5(9) . . . . ?
O23 S4 C178 F10 -173.1(7) . . . . ?
O24 S4 C178 F10 -57.7(8) . . . . ?
O22 S4 C178 F12 -50.8(10) . . . . ?
O23 S4 C178 F12 69.6(9) . . . . ?
O24 S4 C178 F12 -175.0(9) . . . . ?
O26 S5 C179 F15 68(5) . . . . ?
O27 S5 C179 F15 -176(2) . . . . ?
O25 S5 C179 F15 -57(3) . . . . ?
O26 S5 C179 F13 -175(5) . . . . ?
O27 S5 C179 F13 -60(2) . . . . ?
O25 S5 C179 F13 60(3) . . . . ?
O26 S5 C179 F14 -57(5) . . . . ?
O27 S5 C179 F14 59(2) . . . . ?
O25 S5 C179 F14 179(2) . . . . ?
C183 C182 O31 C185 -84(3) . . . . ?
C181 C182 O31 C185 152(2) . . . . ?
C184 C185 O31 C182 147(2) . . . . ?
C186 C185 O31 C182 -97(3) . . . . ?
