#------------------------------------------------------------------------------
#$Date: 2020-07-16 04:04:58 +0300 (Thu, 16 Jul 2020) $
#$Revision: 254327 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/85/1558593.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_1558593
loop_
_publ_author_name
'Dang, Li-Long'
'Gao, Xiang'
'Lin, Yue-Jian'
'Jin, Guo-Xin'
_publ_section_title
;
 Selective synthesis and structural transformation between a molecular
 ring-in-ring architecture and an abnormal trefoil knot
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC02733B
_journal_year                    2020
_chemical_formula_sum            'C156 H163 F12 N16 O34 Rh4 S4'
_chemical_formula_weight         3573.89
_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
;
2020-06-17 deposited with the CCDC.	2020-07-15 downloaded from the CCDC.
;
_cell_angle_alpha                105.589(2)
_cell_angle_beta                 95.648(2)
_cell_angle_gamma                100.981(2)
_cell_formula_units_Z            2
_cell_length_a                   14.7048(6)
_cell_length_b                   20.1231(9)
_cell_length_c                   28.5603(12)
_cell_measurement_reflns_used    9742
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      54.65
_cell_measurement_theta_min      3.24
_cell_volume                     7890.6(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_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  0.0734
_diffrn_reflns_av_unetI/netI     0.0705
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            99482
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         54.924
_diffrn_reflns_theta_min         3.233
_exptl_absorpt_coefficient_mu    3.096
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_correction_T_min  0.498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_description       block
_exptl_crystal_F_000             3670
_exptl_crystal_size_max          0.750
_exptl_crystal_size_mid          0.620
_exptl_crystal_size_min          0.370
_refine_diff_density_max         1.200
_refine_diff_density_min         -1.270
_refine_diff_density_rms         0.097
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1863
_refine_ls_number_reflns         29929
_refine_ls_number_restraints     520
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0960
_refine_ls_R_factor_gt           0.0668
_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)+(0.1072P)²+8.7262P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1820
_refine_ls_wR_factor_ref         0.2032
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20676
_reflns_number_total             29929
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc02733b1.cif
_cod_data_source_block           platon_sq_CCDC3
_cod_database_code               1558593
_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   0.205
_shelx_estimated_absorpt_t_max   0.394
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 0.69045(2) 0.94674(2) 0.89110(2) 0.04145(11) Uani 1 1 d . . . . .
Rh2 Rh 0.32767(2) 0.84333(2) 0.78417(2) 0.04268(11) Uani 1 1 d . . . . .
Rh3 Rh 0.81041(4) 0.25677(3) 0.67132(2) 0.07148(16) Uani 1 1 d . . . . .
Rh4 Rh 0.81551(3) 0.38793(2) 0.87188(2) 0.06045(15) Uani 1 1 d . . . . .
N1 N 0.6179(3) 0.9276(2) 0.81617(14) 0.0414(9) Uani 1 1 d . . . . .
N2 N 0.5563(3) 0.8855(2) 0.89486(14) 0.0426(10) Uani 1 1 d . . . . .
N3 N 0.4073(3) 0.8470(2) 0.85276(14) 0.0430(10) Uani 1 1 d . . . . .
N4 N 0.4708(3) 0.8832(2) 0.77218(14) 0.0428(10) Uani 1 1 d . . . . .
N5 N 0.7385(3) 0.8536(2) 0.86418(15) 0.0434(10) Uani 1 1 d . . . . .
N6 N 0.8390(3) 0.6430(2) 0.76057(15) 0.0459(10) Uani 1 1 d . . . . .
N7 N 0.7527(3) 0.5043(2) 0.37165(15) 0.0548(12) Uani 1 1 d . . . . .
N8 N 0.6604(3) 0.2625(2) 0.24487(14) 0.0458(10) Uani 1 1 d . . . . .
N9 N 0.8625(4) 0.3600(3) 0.72690(19) 0.0621(13) Uani 1 1 d . . . . .
N10 N 0.7435(4) 0.2380(3) 0.73231(18) 0.0661(14) Uani 1 1 d . . . . .
N11 N 0.7438(4) 0.2918(2) 0.81379(18) 0.0632(13) Uani 1 1 d . . . . .
N12 N 0.8675(3) 0.4115(2) 0.80918(18) 0.0593(12) Uani 1 1 d . . . . .
N13 N 0.6926(4) 0.2959(3) 0.64855(18) 0.0620(13) Uani 1 1 d . . . . .
N14 N 0.4324(4) 0.3580(3) 0.54936(17) 0.0601(12) Uani 1 1 d . . . . .
N15 N 0.4922(3) 0.4257(3) 0.21162(17) 0.0578(12) Uani 1 1 d . . . . .
N16 N 0.2987(3) 0.5667(2) 0.14388(16) 0.0563(12) Uani 1 1 d . . . . .
O1 O 0.9458(3) 0.7187(2) 0.73301(14) 0.0628(11) Uani 1 1 d . . . . .
O2 O 0.7279(3) 0.5459(2) 0.76240(15) 0.0695(12) Uani 1 1 d . . . . .
O3 O 0.6125(3) 0.4890(2) 0.40070(13) 0.0539(9) Uani 1 1 d . . . . .
O4 O 0.9112(3) 0.5322(3) 0.36744(17) 0.105(2) Uani 1 1 d . . . . .
O5 O 0.5350(3) 0.4473(2) 0.53217(14) 0.0604(10) Uani 1 1 d . . . . .
O6 O 0.3228(4) 0.2565(3) 0.5418(2) 0.114(2) Uani 1 1 d . . . . .
O7 O 0.4996(3) 0.5155(2) 0.28313(16) 0.0679(11) Uani 1 1 d . . . . .
O8 O 0.4733(3) 0.3146(2) 0.15581(15) 0.0678(11) Uani 1 1 d . . . . .
O9 O 0.3278(4) 0.7630(3) 0.60581(15) 0.0855(15) Uani 1 1 d . . . . .
O10 O 0.3512(4) 0.6466(3) 0.5654(2) 0.1033(18) Uani 1 1 d . . . . .
O11 O 0.3361(6) 0.7303(4) 0.5202(2) 0.153(3) Uani 1 1 d . U . . .
O12 O -0.0645(4) 0.6885(3) 0.9225(2) 0.1048(18) Uani 1 1 d . U . . .
O13 O 0.0870(6) 0.7029(4) 0.9036(4) 0.162(3) Uani 1 1 d . U . . .
O14 O 0.0546(7) 0.7039(5) 0.9863(3) 0.198(5) Uani 1 1 d . U . . .
O15 O -0.0160(6) 0.0969(6) 0.2080(4) 0.189(4) Uani 1 1 d . U . . .
O16 O 0.0656(5) 0.0049(5) 0.2169(3) 0.169(4) Uani 1 1 d . U . . .
O17 O -0.0922(5) -0.0001(4) 0.2320(4) 0.195(4) Uani 1 1 d . U . . .
S1 S 0.31756(12) 0.70760(10) 0.56097(6) 0.0706(5) Uani 1 1 d . . . . .
S2 S 0.03122(14) 0.71642(10) 0.94215(7) 0.0824(5) Uani 1 1 d . . . . .
S3 S -0.00498(15) 0.03730(17) 0.23157(12) 0.1272(10) Uani 1 1 d . . . . .
F1 F 0.1691(3) 0.6195(3) 0.50498(18) 0.1219(18) Uani 1 1 d . . . . .
F2 F 0.1666(4) 0.6399(3) 0.5823(2) 0.138(2) Uani 1 1 d . . . . .
F3 F 0.1419(5) 0.7155(4) 0.5467(3) 0.171(3) Uani 1 1 d . . . . .
F4 F 0.1327(5) 0.8430(3) 0.9739(3) 0.199(4) Uani 1 1 d . . . . .
F5 F 0.0204(5) 0.8303(3) 0.9175(3) 0.141(2) Uani 1 1 d . . . . .
F6 F -0.0019(8) 0.8342(4) 0.9900(4) 0.238(5) Uani 1 1 d D U . . .
F7 F 0.1219(5) 0.1369(4) 0.2926(3) 0.177(3) Uani 1 1 d D U . . .
F8 F -0.0138(6) 0.1279(6) 0.3123(3) 0.223(4) Uani 1 1 d . U . . .
F9 F 0.0704(8) 0.0572(7) 0.3201(4) 0.258(6) Uani 1 1 d . U . . .
C1 C 0.5271(3) 0.9002(3) 0.81478(17) 0.0394(11) Uani 1 1 d . . . . .
C2 C 0.4956(3) 0.8801(3) 0.85548(17) 0.0402(11) Uani 1 1 d . . . . .
C3 C 0.5005(3) 0.8519(2) 0.92233(17) 0.0406(11) Uani 1 1 d . . . . .
C4 C 0.5232(4) 0.8381(3) 0.96684(19) 0.0497(13) Uani 1 1 d . . . . .
H4 H 0.585500 0.853380 0.984287 0.060 Uiso 1 1 calc R U . . .
C5 C 0.4527(5) 0.8017(3) 0.9847(2) 0.0582(15) Uani 1 1 d . . . . .
H5 H 0.466843 0.791399 1.014749 0.070 Uiso 1 1 calc R U . . .
C6 C 0.3607(4) 0.7796(3) 0.9595(2) 0.0590(15) Uani 1 1 d . . . . .
H6 H 0.313441 0.755449 0.973343 0.071 Uiso 1 1 calc R U . . .
C7 C 0.3367(4) 0.7919(3) 0.91488(19) 0.0499(13) Uani 1 1 d . . . . .
H7 H 0.274194 0.776232 0.897687 0.060 Uiso 1 1 calc R U . . .
C8 C 0.4078(3) 0.8280(3) 0.89641(17) 0.0426(11) Uani 1 1 d . . . . .
C9 C 0.5307(4) 0.9006(3) 0.74066(18) 0.0435(11) Uani 1 1 d . . . . .
C10 C 0.5147(4) 0.8914(3) 0.68955(19) 0.0526(13) Uani 1 1 d . . . . .
H10 H 0.453809 0.872024 0.670733 0.063 Uiso 1 1 calc R U . . .
C11 C 0.5901(4) 0.9116(3) 0.6683(2) 0.0573(14) Uani 1 1 d . . . . .
H11 H 0.581039 0.907283 0.634097 0.069 Uiso 1 1 calc R U . . .
C12 C 0.6804(4) 0.9384(3) 0.6953(2) 0.0595(15) Uani 1 1 d . . . . .
H12 H 0.731230 0.950045 0.678675 0.071 Uiso 1 1 calc R U . . .
C13 C 0.6982(4) 0.9484(3) 0.7451(2) 0.0511(13) Uani 1 1 d . . . . .
H13 H 0.759774 0.967601 0.763155 0.061 Uiso 1 1 calc R U . . .
C14 C 0.6222(3) 0.9293(3) 0.76786(18) 0.0422(11) Uani 1 1 d . . . . .
C15 C 0.7253(4) 0.7996(3) 0.88369(18) 0.0458(12) Uani 1 1 d . . . . .
H15 H 0.687711 0.800917 0.908997 0.055 Uiso 1 1 calc R U . . .
C16 C 0.7650(4) 0.7420(3) 0.86790(18) 0.0462(12) Uani 1 1 d . . . . .
H16 H 0.755263 0.704828 0.882745 0.055 Uiso 1 1 calc R U . . .
C17 C 0.8185(3) 0.7385(3) 0.83080(17) 0.0427(11) Uani 1 1 d . . . . .
C18 C 0.8321(4) 0.7953(3) 0.81097(19) 0.0489(12) Uani 1 1 d . . . . .
H18 H 0.869377 0.795193 0.785621 0.059 Uiso 1 1 calc R U . . .
C19 C 0.7918(4) 0.8508(3) 0.82806(19) 0.0473(12) Uani 1 1 d . . . . .
H19 H 0.801426 0.888883 0.814079 0.057 Uiso 1 1 calc R U . . .
C20 C 0.8632(4) 0.6765(3) 0.81352(17) 0.0464(12) Uani 1 1 d . . . . .
H20A H 0.932179 0.692973 0.822350 0.056 Uiso 1 1 calc R U . . .
H20B H 0.842539 0.641026 0.830785 0.056 Uiso 1 1 calc R U . . .
C21 C 0.8843(4) 0.6655(3) 0.7247(2) 0.0512(13) Uani 1 1 d . . . . .
C22 C 0.8417(3) 0.6124(3) 0.67737(18) 0.0460(12) Uani 1 1 d . . . . .
C23 C 0.8593(4) 0.6114(3) 0.63104(19) 0.0516(13) Uani 1 1 d . . . . .
H23 H 0.904812 0.647884 0.625762 0.062 Uiso 1 1 calc R U . . .
C24 C 0.8070(4) 0.5540(3) 0.59140(19) 0.0512(13) Uani 1 1 d . . . . .
C25 C 0.7431(4) 0.5016(3) 0.6005(2) 0.0584(15) Uani 1 1 d . . . . .
H25 H 0.708880 0.463184 0.573390 0.070 Uiso 1 1 calc R U . . .
C26 C 0.7262(4) 0.5022(3) 0.6477(2) 0.0595(15) Uani 1 1 d . . . . .
H26 H 0.682269 0.465137 0.653383 0.071 Uiso 1 1 calc R U . . .
C27 C 0.7768(4) 0.5596(3) 0.68586(18) 0.0482(12) Uani 1 1 d . . . . .
C28 C 0.7744(4) 0.5778(3) 0.7398(2) 0.0499(13) Uani 1 1 d . . . . .
C29 C 0.6968(4) 0.5034(3) 0.40807(19) 0.0491(13) Uani 1 1 d . . . . .
C30 C 0.7631(4) 0.5253(3) 0.45541(19) 0.0494(13) Uani 1 1 d . . . . .
C31 C 0.7449(4) 0.5294(3) 0.50222(18) 0.0494(13) Uani 1 1 d . . . . .
H31 H 0.682588 0.517892 0.508641 0.059 Uiso 1 1 calc R U . . .
C32 C 0.8211(4) 0.5511(3) 0.5397(2) 0.0545(14) Uani 1 1 d . . . . .
C33 C 0.9125(4) 0.5687(4) 0.5293(2) 0.0723(19) Uani 1 1 d . . . . .
H33 H 0.963901 0.584716 0.555545 0.087 Uiso 1 1 calc R U . . .
C34 C 0.9295(4) 0.5632(4) 0.4818(2) 0.075(2) Uani 1 1 d . . . . .
H34 H 0.991350 0.574137 0.474661 0.090 Uiso 1 1 calc R U . . .
C35 C 0.8524(4) 0.5412(3) 0.4454(2) 0.0618(16) Uani 1 1 d . . . . .
C36 C 0.8481(5) 0.5269(4) 0.3912(2) 0.0715(19) Uani 1 1 d . . . . .
C37 C 0.7173(5) 0.4865(3) 0.31978(19) 0.0586(15) Uani 1 1 d . . . . .
H37A H 0.764198 0.510962 0.303799 0.070 Uiso 1 1 calc R U . . .
H37B H 0.659365 0.504054 0.315724 0.070 Uiso 1 1 calc R U . . .
C38 C 0.6485(3) 0.2863(3) 0.29230(18) 0.0460(12) Uani 1 1 d . . . . .
H38 H 0.627709 0.252797 0.309103 0.055 Uiso 1 1 calc R U . . .
C39 C 0.6654(4) 0.3574(3) 0.31720(18) 0.0489(13) Uani 1 1 d . . . . .
H39 H 0.656092 0.371962 0.350536 0.059 Uiso 1 1 calc R U . . .
C40 C 0.6958(4) 0.4075(3) 0.29409(18) 0.0490(13) Uani 1 1 d . . . . .
C41 C 0.7047(4) 0.3831(3) 0.24419(18) 0.0527(14) Uani 1 1 d . . . . .
H41 H 0.723547 0.415853 0.226499 0.063 Uiso 1 1 calc R U . . .
C42 C 0.6857(4) 0.3110(3) 0.22108(19) 0.0513(13) Uani 1 1 d . . . . .
H42 H 0.690708 0.295086 0.187160 0.062 Uiso 1 1 calc R U . . .
C43 C 0.6922(4) 1.0563(3) 0.9223(2) 0.0548(14) Uani 1 1 d . . . . .
C44 C 0.6969(4) 1.0245(3) 0.9615(2) 0.0547(14) Uani 1 1 d . . . . .
C45 C 0.7790(4) 0.9952(3) 0.9612(2) 0.0631(17) Uani 1 1 d . . . . .
C46 C 0.8285(4) 1.0135(3) 0.9235(3) 0.071(2) Uani 1 1 d . . . . .
C47 C 0.7756(4) 1.0507(3) 0.8997(2) 0.0667(18) Uani 1 1 d . . . . .
C48 C 0.6165(5) 1.0909(3) 0.9093(3) 0.0725(18) Uani 1 1 d . . . . .
H48A H 0.560478 1.074271 0.922535 0.109 Uiso 1 1 calc R U . . .
H48B H 0.601491 1.078933 0.873359 0.109 Uiso 1 1 calc R U . . .
H48C H 0.637866 1.142416 0.923273 0.109 Uiso 1 1 calc R U . . .
C49 C 0.6274(4) 1.0220(3) 0.9960(2) 0.0604(15) Uani 1 1 d . . . . .
H49A H 0.639561 1.067869 1.021365 0.091 Uiso 1 1 calc R U . . .
H49B H 0.633257 0.984882 1.011632 0.091 Uiso 1 1 calc R U . . .
H49C H 0.563873 1.011611 0.977752 0.091 Uiso 1 1 calc R U . . .
C50 C 0.8133(5) 0.9593(4) 0.9962(3) 0.088(2) Uani 1 1 d . U . . .
H50A H 0.846692 0.924343 0.979460 0.132 Uiso 1 1 calc R U . . .
H50B H 0.759930 0.935359 1.008089 0.132 Uiso 1 1 calc R U . . .
H50C H 0.856043 0.994457 1.024125 0.132 Uiso 1 1 calc R U . . .
C51 C 0.9206(4) 0.9965(5) 0.9129(3) 0.109(3) Uani 1 1 d . U . . .
H51A H 0.925114 0.991437 0.878173 0.164 Uiso 1 1 calc R U . . .
H51B H 0.925078 0.952143 0.920014 0.164 Uiso 1 1 calc R U . . .
H51C H 0.971900 1.034905 0.933662 0.164 Uiso 1 1 calc R U . . .
C52 C 0.8011(6) 1.0809(3) 0.8592(3) 0.098(3) Uani 1 1 d . U . . .
H52A H 0.839039 1.129268 0.873276 0.148 Uiso 1 1 calc R U . . .
H52B H 0.743821 1.081513 0.838796 0.148 Uiso 1 1 calc R U . . .
H52C H 0.837177 1.051621 0.838866 0.148 Uiso 1 1 calc R U . . .
C53 C 0.2477(4) 0.8862(3) 0.73669(19) 0.0507(13) Uani 1 1 d . . . . .
C54 C 0.1912(3) 0.8230(3) 0.74053(19) 0.0531(14) Uani 1 1 d . . . . .
C55 C 0.1831(3) 0.8311(3) 0.79138(19) 0.0513(13) Uani 1 1 d . . . . .
C56 C 0.2314(4) 0.9022(3) 0.81880(19) 0.0517(13) Uani 1 1 d . . . . .
C57 C 0.2731(4) 0.9356(3) 0.7859(2) 0.0523(13) Uani 1 1 d . . . . .
C58 C 0.2703(5) 0.9025(4) 0.6905(2) 0.0686(17) Uani 1 1 d . . . . .
H58A H 0.267254 0.858310 0.664747 0.103 Uiso 1 1 calc R U . . .
H58B H 0.333577 0.932717 0.696747 0.103 Uiso 1 1 calc R U . . .
H58C H 0.224799 0.927271 0.679575 0.103 Uiso 1 1 calc R U . . .
C59 C 0.1478(4) 0.7577(3) 0.6981(2) 0.0621(16) Uani 1 1 d . . . . .
H59A H 0.147190 0.715433 0.709020 0.093 Uiso 1 1 calc R U . . .
H59B H 0.184714 0.756176 0.671242 0.093 Uiso 1 1 calc R U . . .
H59C H 0.083436 0.759113 0.686572 0.093 Uiso 1 1 calc R U . . .
C60 C 0.1259(4) 0.7795(4) 0.8116(2) 0.0647(17) Uani 1 1 d . . . . .
H60A H 0.062312 0.787669 0.811657 0.097 Uiso 1 1 calc R U . . .
H60B H 0.154671 0.785506 0.845369 0.097 Uiso 1 1 calc R U . . .
H60C H 0.123032 0.731237 0.791173 0.097 Uiso 1 1 calc R U . . .
C61 C 0.2349(4) 0.9345(4) 0.8728(2) 0.0649(16) Uani 1 1 d . . . . .
H61A H 0.290662 0.973356 0.885590 0.097 Uiso 1 1 calc R U . . .
H61B H 0.237678 0.898478 0.889819 0.097 Uiso 1 1 calc R U . . .
H61C H 0.178504 0.952905 0.878439 0.097 Uiso 1 1 calc R U . . .
C62 C 0.3287(5) 1.0100(3) 0.7989(3) 0.0715(18) Uani 1 1 d . . . . .
H62A H 0.288472 1.040212 0.790622 0.107 Uiso 1 1 calc R U . . .
H62B H 0.381280 1.011823 0.780324 0.107 Uiso 1 1 calc R U . . .
H62C H 0.352879 1.027001 0.834238 0.107 Uiso 1 1 calc R U . . .
C63 C 0.8394(5) 0.3543(3) 0.7692(2) 0.0607(15) Uani 1 1 d . . . . .
C64 C 0.7780(5) 0.2926(3) 0.7724(2) 0.0606(15) Uani 1 1 d . . . . .
C65 C 0.6759(5) 0.1948(3) 0.7484(2) 0.0668(17) Uani 1 1 d . . . . .
C66 C 0.6123(5) 0.1311(3) 0.7234(3) 0.080(2) Uani 1 1 d . . . . .
H66 H 0.611841 0.108589 0.689521 0.095 Uiso 1 1 calc R U . . .
C67 C 0.5509(6) 0.1024(4) 0.7493(3) 0.089(2) Uani 1 1 d . . . . .
H67 H 0.508212 0.058382 0.733278 0.106 Uiso 1 1 calc R U . . .
C68 C 0.5487(7) 0.1352(4) 0.7981(3) 0.103(3) Uani 1 1 d . . . . .
H68 H 0.503100 0.113957 0.814217 0.124 Uiso 1 1 calc R U . . .
C69 C 0.6116(6) 0.1991(4) 0.8246(3) 0.084(2) Uani 1 1 d . . . . .
H69 H 0.610012 0.221395 0.858248 0.101 Uiso 1 1 calc R U . . .
C70 C 0.6758(5) 0.2277(3) 0.7994(2) 0.0686(18) Uani 1 1 d . . . . .
C71 C 0.9176(4) 0.4614(3) 0.7903(2) 0.0563(14) Uani 1 1 d . . . . .
C72 C 0.9673(4) 0.5310(3) 0.8124(3) 0.0621(15) Uani 1 1 d . . . . .
H72 H 0.970137 0.553120 0.846511 0.075 Uiso 1 1 calc R U . . .
C73 C 1.0122(4) 0.5667(3) 0.7835(3) 0.0661(17) Uani 1 1 d . . . . .
H73 H 1.047338 0.613996 0.798085 0.079 Uiso 1 1 calc R U . . .
C74 C 1.0077(4) 0.5355(4) 0.7332(3) 0.0674(17) Uani 1 1 d . . . . .
H74 H 1.039522 0.562057 0.714344 0.081 Uiso 1 1 calc R U . . .
C75 C 0.9583(4) 0.4671(3) 0.7102(3) 0.0643(16) Uani 1 1 d . . . . .
H75 H 0.954333 0.446248 0.675781 0.077 Uiso 1 1 calc R U . . .
C76 C 0.9146(4) 0.4301(3) 0.7391(2) 0.0616(15) Uani 1 1 d . . . . .
C77 C 0.6753(5) 0.2999(3) 0.6022(2) 0.0598(15) Uani 1 1 d . . . . .
H77 H 0.717008 0.285885 0.580095 0.072 Uiso 1 1 calc R U . . .
C78 C 0.6007(4) 0.3231(3) 0.5857(2) 0.0581(15) Uani 1 1 d . . . . .
H78 H 0.590475 0.323623 0.552478 0.070 Uiso 1 1 calc R U . . .
C79 C 0.5405(4) 0.3455(3) 0.6167(2) 0.0537(14) Uani 1 1 d . . . . .
C80 C 0.5582(6) 0.3420(4) 0.6650(2) 0.0742(19) Uani 1 1 d . . . . .
H80 H 0.517619 0.356394 0.687770 0.089 Uiso 1 1 calc R U . . .
C81 C 0.6325(5) 0.3183(4) 0.6791(2) 0.077(2) Uani 1 1 d . . . . .
H81 H 0.643617 0.317052 0.712130 0.092 Uiso 1 1 calc R U . . .
C82 C 0.4621(5) 0.3773(4) 0.6028(2) 0.0646(16) Uani 1 1 d . . . . .
H82A H 0.407867 0.361567 0.618287 0.078 Uiso 1 1 calc R U . . .
H82B H 0.482135 0.429499 0.616029 0.078 Uiso 1 1 calc R U . . .
C83 C 0.4732(4) 0.3951(3) 0.51824(19) 0.0498(13) Uani 1 1 d . . . . .
C84 C 0.4228(4) 0.3538(3) 0.46752(19) 0.0490(13) Uani 1 1 d . . . . .
C85 C 0.4380(4) 0.3650(3) 0.42366(19) 0.0472(12) Uani 1 1 d . . . . .
H85 H 0.483210 0.404621 0.422125 0.057 Uiso 1 1 calc R U . . .
C86 C 0.3838(4) 0.3152(3) 0.3806(2) 0.0486(12) Uani 1 1 d . . . . .
C87 C 0.3169(4) 0.2585(3) 0.3848(2) 0.0666(17) Uani 1 1 d . . . . .
H87 H 0.280330 0.225291 0.355758 0.080 Uiso 1 1 calc R U . . .
C88 C 0.3022(5) 0.2492(4) 0.4301(3) 0.078(2) Uani 1 1 d . . . . .
H88 H 0.255206 0.211307 0.432570 0.093 Uiso 1 1 calc R U . . .
C89 C 0.3580(4) 0.2968(3) 0.4709(2) 0.0614(15) Uani 1 1 d . . . . .
C90 C 0.3646(5) 0.2972(4) 0.5233(2) 0.0732(19) Uani 1 1 d . . . . .
C91 C 0.4821(4) 0.4534(3) 0.2612(2) 0.0562(14) Uani 1 1 d . . . . .
C92 C 0.4493(4) 0.3907(3) 0.27876(19) 0.0465(12) Uani 1 1 d . . . . .
C93 C 0.4314(4) 0.3877(3) 0.32463(19) 0.0501(13) Uani 1 1 d . . . . .
H93 H 0.438477 0.429740 0.350983 0.060 Uiso 1 1 calc R U . . .
C94 C 0.4026(3) 0.3208(3) 0.33143(19) 0.0462(12) Uani 1 1 d . . . . .
C95 C 0.3943(4) 0.2605(3) 0.2914(2) 0.0515(13) Uani 1 1 d . . . . .
H95 H 0.375118 0.215269 0.296162 0.062 Uiso 1 1 calc R U . . .
C96 C 0.4126(4) 0.2635(3) 0.24596(19) 0.0509(13) Uani 1 1 d . . . . .
H96 H 0.405828 0.221587 0.219538 0.061 Uiso 1 1 calc R U . . .
C97 C 0.4412(4) 0.3299(3) 0.23974(19) 0.0492(13) Uani 1 1 d . . . . .
C98 C 0.4692(4) 0.3512(3) 0.1964(2) 0.0557(14) Uani 1 1 d . . . . .
C99 C 0.5213(5) 0.4713(4) 0.1812(2) 0.0693(17) Uani 1 1 d . . . . .
H99A H 0.540300 0.443158 0.151215 0.083 Uiso 1 1 calc R U . . .
H99B H 0.576377 0.509235 0.199730 0.083 Uiso 1 1 calc R U . . .
C100 C 0.2861(5) 0.4979(3) 0.1380(2) 0.0663(17) Uani 1 1 d . . . . .
H100 H 0.224626 0.469168 0.125966 0.080 Uiso 1 1 calc R U . . .
C101 C 0.3555(5) 0.4660(3) 0.1482(3) 0.0717(18) Uani 1 1 d . . . . .
H101 H 0.341782 0.416039 0.142192 0.086 Uiso 1 1 calc R U . . .
C102 C 0.4441(4) 0.5039(3) 0.1669(2) 0.0588(15) Uani 1 1 d . . . . .
C103 C 0.4585(6) 0.5756(4) 0.1729(4) 0.118(3) Uani 1 1 d . U . . .
H103 H 0.519059 0.605348 0.185835 0.142 Uiso 1 1 calc R U . . .
C104 C 0.3856(6) 0.6039(4) 0.1603(4) 0.116(3) Uani 1 1 d . U . . .
H104 H 0.398165 0.653216 0.163631 0.139 Uiso 1 1 calc R U . . .
C105 C 0.8262(5) 0.1827(2) 0.6040(3) 0.089(5) Uani 0.46(3) 1 d G U P A 1
C106 C 0.8962(3) 0.2451(3) 0.6104(2) 0.081(5) Uani 0.46(3) 1 d G U P A 1
C107 C 0.9579(6) 0.2572(7) 0.6549(3) 0.079(6) Uani 0.46(3) 1 d G U P A 1
C108 C 0.9259(12) 0.2023(8) 0.6760(2) 0.088(7) Uani 0.46(3) 1 d G U P A 1
C109 C 0.8445(11) 0.1563(5) 0.6445(4) 0.117(9) Uani 0.46(3) 1 d G U P A 1
C110 C 0.7463(5) 0.1501(5) 0.5615(4) 0.133(9) Uani 0.46(3) 1 d G U P A 1
H11A H 0.749773 0.178804 0.538658 0.200 Uiso 0.46(3) 1 calc R U P A 1
H11B H 0.750706 0.101949 0.544346 0.200 Uiso 0.46(3) 1 calc R U P A 1
H11C H 0.686428 0.148552 0.574065 0.200 Uiso 0.46(3) 1 calc R U P A 1
C111 C 0.9039(8) 0.2905(4) 0.5760(4) 0.092(7) Uani 0.46(3) 1 d G U P A 1
H11D H 0.896531 0.337916 0.593168 0.138 Uiso 0.46(3) 1 calc R U P A 1
H11E H 0.854587 0.269007 0.547242 0.138 Uiso 0.46(3) 1 calc R U P A 1
H11F H 0.965479 0.294068 0.565329 0.138 Uiso 0.46(3) 1 calc R U P A 1
C112 C 1.0425(5) 0.3178(9) 0.6761(6) 0.113(9) Uani 0.46(3) 1 d G U P A 1
H11G H 1.034687 0.345597 0.708765 0.170 Uiso 0.46(3) 1 calc R U P A 1
H11H H 1.048810 0.348181 0.654382 0.170 Uiso 0.46(3) 1 calc R U P A 1
H11I H 1.098924 0.299059 0.678951 0.170 Uiso 0.46(3) 1 calc R U P A 1
C113 C 0.9706(18) 0.1944(13) 0.7235(3) 0.156(13) Uani 0.46(3) 1 d G U P A 1
H11J H 1.019681 0.236818 0.740493 0.233 Uiso 0.46(3) 1 calc R U P A 1
H11K H 0.998211 0.152814 0.716259 0.233 Uiso 0.46(3) 1 calc R U P A 1
H11L H 0.922768 0.188287 0.744546 0.233 Uiso 0.46(3) 1 calc R U P A 1
C114 C 0.7875(17) 0.0907(6) 0.6527(7) 0.135(10) Uani 0.46(3) 1 d G U P A 1
H11M H 0.732884 0.070276 0.626590 0.202 Uiso 0.46(3) 1 calc R U P A 1
H11N H 0.766264 0.103355 0.684715 0.202 Uiso 0.46(3) 1 calc R U P A 1
H11O H 0.826245 0.056011 0.652033 0.202 Uiso 0.46(3) 1 calc R U P A 1
C205 C 0.8145(5) 0.1815(2) 0.5977(3) 0.080(4) Uani 0.54(3) 1 d G U P A 2
C206 C 0.8936(3) 0.2396(3) 0.61375(18) 0.076(4) Uani 0.54(3) 1 d G U P A 2
C207 C 0.9396(7) 0.2381(7) 0.65942(19) 0.090(6) Uani 0.54(3) 1 d G U P A 2
C208 C 0.8891(13) 0.1792(8) 0.6715(3) 0.103(7) Uani 0.54(3) 1 d G U P A 2
C209 C 0.8117(11) 0.1442(4) 0.6334(4) 0.089(6) Uani 0.54(3) 1 d G U P A 2
C210 C 0.7456(5) 0.1628(6) 0.5508(4) 0.106(6) Uani 0.54(3) 1 d G U P A 2
H21A H 0.774042 0.140677 0.522774 0.159 Uiso 0.54(3) 1 calc R U P A 2
H21B H 0.729046 0.205947 0.546411 0.159 Uiso 0.54(3) 1 calc R U P A 2
H21C H 0.688891 0.129744 0.552827 0.159 Uiso 0.54(3) 1 calc R U P A 2
C211 C 0.9234(7) 0.2934(3) 0.5870(4) 0.097(6) Uani 0.54(3) 1 d G U P A 2
H21D H 0.972461 0.332624 0.608714 0.146 Uiso 0.54(3) 1 calc R U P A 2
H21E H 0.869302 0.311481 0.577495 0.146 Uiso 0.54(3) 1 calc R U P A 2
H21F H 0.947765 0.270947 0.557479 0.146 Uiso 0.54(3) 1 calc R U P A 2
C212 C 1.0270(8) 0.2901(10) 0.6897(4) 0.139(9) Uani 0.54(3) 1 d G U P A 2
H21G H 1.056989 0.317642 0.669628 0.209 Uiso 0.54(3) 1 calc R U P A 2
H21H H 1.070579 0.264222 0.700977 0.209 Uiso 0.54(3) 1 calc R U P A 2
H21I H 1.010170 0.322088 0.718321 0.209 Uiso 0.54(3) 1 calc R U P A 2
C213 C 0.913(2) 0.1575(12) 0.7170(4) 0.154(11) Uani 0.54(3) 1 d G U P A 2
H21J H 0.855365 0.137843 0.727668 0.231 Uiso 0.54(3) 1 calc R U P A 2
H21K H 0.949450 0.198962 0.743363 0.231 Uiso 0.54(3) 1 calc R U P A 2
H21L H 0.950592 0.121602 0.709562 0.231 Uiso 0.54(3) 1 calc R U P A 2
C214 C 0.7393(16) 0.0789(4) 0.6312(8) 0.170(11) Uani 0.54(3) 1 d G U P A 2
H21M H 0.677297 0.083236 0.618064 0.255 Uiso 0.54(3) 1 calc R U P A 2
H21N H 0.738678 0.073812 0.664320 0.255 Uiso 0.54(3) 1 calc R U P A 2
H21O H 0.754916 0.037079 0.609657 0.255 Uiso 0.54(3) 1 calc R U P A 2
C115 C 0.8263(5) 0.3437(4) 0.9325(2) 0.0656(17) Uani 1 1 d . . . . .
C116 C 0.9093(5) 0.3422(4) 0.9102(3) 0.077(2) Uani 1 1 d . . . . .
C117 C 0.9564(6) 0.4082(5) 0.9132(3) 0.089(2) Uani 1 1 d . . . . .
C118 C 0.9066(7) 0.4561(4) 0.9363(3) 0.088(3) Uani 1 1 d . . . . .
C119 C 0.8238(7) 0.4187(6) 0.9503(3) 0.105(3) Uani 1 1 d . U . . .
C120 C 0.7636(5) 0.2803(5) 0.9375(3) 0.106(3) Uani 1 1 d . U . . .
H12A H 0.749399 0.242870 0.905985 0.158 Uiso 1 1 calc R U . . .
H12B H 0.705169 0.292172 0.947188 0.158 Uiso 1 1 calc R U . . .
H12C H 0.794478 0.263647 0.962750 0.158 Uiso 1 1 calc R U . . .
C121 C 0.9422(7) 0.2757(5) 0.8853(4) 0.120(3) Uani 1 1 d . U . . .
H12D H 0.992011 0.287998 0.866594 0.180 Uiso 1 1 calc R U . . .
H12E H 0.889357 0.240740 0.862848 0.180 Uiso 1 1 calc R U . . .
H12F H 0.966378 0.255692 0.910334 0.180 Uiso 1 1 calc R U . . .
C122 C 1.0454(7) 0.4309(7) 0.8948(5) 0.168(6) Uani 1 1 d . U . . .
H12G H 1.098105 0.423117 0.914852 0.252 Uiso 1 1 calc R U . . .
H12H H 1.055273 0.481342 0.897170 0.252 Uiso 1 1 calc R U . . .
H12I H 1.041067 0.403226 0.860425 0.252 Uiso 1 1 calc R U . . .
C123 C 0.9371(11) 0.5356(4) 0.9507(4) 0.188(7) Uani 1 1 d . U . . .
H12J H 0.964541 0.553787 0.985649 0.283 Uiso 1 1 calc R U . . .
H12K H 0.882604 0.555553 0.945047 0.283 Uiso 1 1 calc R U . . .
H12L H 0.983857 0.549254 0.930828 0.283 Uiso 1 1 calc R U . . .
C124 C 0.7545(10) 0.4479(9) 0.9762(4) 0.193(7) Uani 1 1 d . U . . .
H12M H 0.766886 0.449239 1.010789 0.290 Uiso 1 1 calc R U . . .
H12N H 0.691932 0.418288 0.961271 0.290 Uiso 1 1 calc R U . . .
H12O H 0.757533 0.496046 0.974025 0.290 Uiso 1 1 calc R U . . .
C125 C 0.1927(6) 0.6696(4) 0.5479(3) 0.089(2) Uani 1 1 d . . . . .
C126 C 0.0451(7) 0.8106(5) 0.9568(4) 0.112(3) Uani 1 1 d D . . . .
C127 C 0.0405(9) 0.0914(7) 0.2913(5) 0.132(4) Uani 1 1 d D . . . .
C129 C 0.4623(9) 0.9093(8) 0.5454(6) 0.153(5) Uani 1 1 d D U . . .
H129 H 0.442597 0.884260 0.567783 0.183 Uiso 1 1 calc R U . . .
C130 C 0.4886(8) 0.8721(7) 0.5025(6) 0.136(4) Uani 1 1 d D U . . .
H130 H 0.489272 0.823458 0.496942 0.164 Uiso 1 1 calc R U . . .
C131 C 0.5156(8) 0.9080(8) 0.4656(6) 0.146(4) Uani 1 1 d D U . . .
C132 C 0.5138(6) 0.9835(6) 0.4767(3) 0.110(3) Uani 1 1 d D U . . .
C133 C 0.5370(9) 1.0205(9) 0.4427(6) 0.158(6) Uani 1 1 d . . . . .
C134 C 0.5651(10) 0.9858(13) 0.3951(5) 0.192(8) Uani 1 1 d . . . . .
H134 H 0.583947 1.008430 0.371285 0.230 Uiso 1 1 calc R U . . .
C135 C 0.5589(13) 0.9133(13) 0.3911(8) 0.228(12) Uani 1 1 d . . . . .
H135 H 0.573857 0.887185 0.360981 0.274 Uiso 1 1 calc R U . . .
C136 C 0.5364(11) 0.8742(10) 0.4212(7) 0.183(6) Uani 1 1 d . . . . .
H136 H 0.534962 0.824941 0.412030 0.219 Uiso 1 1 calc R U . . .
C137 C -0.0041(10) 0.9380(8) 0.4069(6) 0.156(5) Uani 1 1 d D U . . .
H137 H -0.012042 0.955175 0.379207 0.188 Uiso 1 1 calc R U . . .
C138 C -0.0737(8) 0.8772(7) 0.4036(4) 0.115(3) Uani 1 1 d D U . . .
H138 H -0.124651 0.857778 0.377190 0.138 Uiso 1 1 calc R U . . .
C139 C -0.0608(8) 0.8452(7) 0.4456(5) 0.148(4) Uani 1 1 d D U . . .
C140 C -0.1195(12) 0.7857(9) 0.4452(6) 0.197(5) Uani 1 1 d D U . . .
H140 H -0.167907 0.757975 0.418771 0.236 Uiso 1 1 calc R U . . .
C141 C -0.0981(11) 0.7692(8) 0.4922(6) 0.157(4) Uani 1 1 d D U . . .
H141 H -0.145073 0.730792 0.494076 0.188 Uiso 1 1 calc R U . . .
C142 C -0.0312(10) 0.7922(7) 0.5340(6) 0.152(5) Uani 1 1 d D U . . .
H142 H -0.026284 0.773843 0.561316 0.182 Uiso 1 1 calc R U . . .
C143 C 0.0305(12) 0.8526(10) 0.5250(6) 0.187(6) Uani 1 1 d D U . . .
C144 C 0.0998(12) 0.8865(9) 0.5592(6) 0.184(6) Uani 1 1 d D U . . .
H144 H 0.105825 0.868853 0.586765 0.221 Uiso 1 1 calc R U . . .
C145 C 0.1720(9) 0.9503(7) 0.5610(4) 0.134(4) Uani 1 1 d D U . . .
H145 H 0.223518 0.969850 0.587122 0.160 Uiso 1 1 calc R U . . .
C146 C 0.1603(11) 0.9817(8) 0.5207(6) 0.170(4) Uani 1 1 d D U . . .
C147 C 0.2195(13) 1.0394(9) 0.5181(7) 0.196(5) Uani 1 1 d D U . . .
H147 H 0.273560 1.063590 0.541974 0.235 Uiso 1 1 calc R U . . .
C148 C 0.1935(13) 1.0619(8) 0.4755(6) 0.168(4) Uani 1 1 d D U . . .
H148 H 0.236444 1.103871 0.475987 0.202 Uiso 1 1 calc R U . . .
C149 C 0.1265(10) 1.0409(7) 0.4353(6) 0.147(4) Uani 1 1 d D U . . .
H149 H 0.117888 1.062630 0.410008 0.177 Uiso 1 1 calc R U . . .
C150 C 0.0719(12) 0.9774(9) 0.4409(6) 0.178(5) Uani 1 1 d D U . . .
C151 C 0.0208(9) 0.8821(7) 0.4856(4) 0.119(3) Uani 1 1 d D U . . .
C152 C 0.0766(8) 0.9440(6) 0.4789(4) 0.110(3) Uani 1 1 d D U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0137 0.0067 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0583 0.0400 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -0.0161 2.8414 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.2925 0.4295 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N5 Rh1 C43 160.3(2) . . ?
N5 Rh1 C45 102.1(2) . . ?
C43 Rh1 C45 65.8(2) . . ?
N5 Rh1 N2 90.75(16) . . ?
C43 Rh1 N2 108.20(19) . . ?
C45 Rh1 N2 114.0(2) . . ?
N5 Rh1 C47 122.2(2) . . ?
C43 Rh1 C47 39.4(2) . . ?
C45 Rh1 C47 65.2(3) . . ?
N2 Rh1 C47 146.9(2) . . ?
N5 Rh1 C46 95.3(2) . . ?
C43 Rh1 C46 65.4(2) . . ?
C45 Rh1 C46 39.2(3) . . ?
N2 Rh1 C46 153.1(2) . . ?
C47 Rh1 C46 38.3(3) . . ?
N5 Rh1 C44 137.8(2) . . ?
C43 Rh1 C44 38.8(2) . . ?
C45 Rh1 C44 39.0(2) . . ?
N2 Rh1 C44 93.45(18) . . ?
C47 Rh1 C44 64.9(2) . . ?
C46 Rh1 C44 64.9(2) . . ?
N5 Rh1 N1 87.61(16) . . ?
C43 Rh1 N1 100.7(2) . . ?
C45 Rh1 N1 162.9(2) . . ?
N2 Rh1 N1 79.58(15) . . ?
C47 Rh1 N1 97.7(2) . . ?
C46 Rh1 N1 126.7(2) . . ?
C44 Rh1 N1 134.5(2) . . ?
N8 Rh2 C55 102.68(19) 2_666 . ?
N8 Rh2 C57 155.79(18) 2_666 . ?
C55 Rh2 C57 65.4(2) . . ?
N8 Rh2 N3 88.79(16) 2_666 . ?
C55 Rh2 N3 109.15(18) . . ?
C57 Rh2 N3 114.74(18) . . ?
N8 Rh2 C54 92.4(2) 2_666 . ?
C55 Rh2 C54 39.1(2) . . ?
C57 Rh2 C54 64.8(2) . . ?
N3 Rh2 C54 147.51(19) . . ?
N8 Rh2 C53 117.11(18) 2_666 . ?
C55 Rh2 C53 65.5(2) . . ?
C57 Rh2 C53 39.3(2) . . ?
N3 Rh2 C53 154.04(19) . . ?
C54 Rh2 C53 38.3(2) . . ?
N8 Rh2 C56 140.13(19) 2_666 . ?
C55 Rh2 C56 39.1(2) . . ?
C57 Rh2 C56 38.3(2) . . ?
N3 Rh2 C56 94.45(18) . . ?
C54 Rh2 C56 64.7(2) . . ?
C53 Rh2 C56 65.0(2) . . ?
N8 Rh2 N4 90.84(16) 2_666 . ?
C55 Rh2 N4 163.9(2) . . ?
C57 Rh2 N4 98.71(19) . . ?
N3 Rh2 N4 79.53(15) . . ?
C54 Rh2 N4 132.88(18) . . ?
C53 Rh2 N4 100.56(18) . . ?
C56 Rh2 N4 128.85(19) . . ?
C207 Rh3 C208 39.84(12) . . ?
C207 Rh3 C206 39.57(12) . . ?
C208 Rh3 C206 65.40(16) . . ?
C207 Rh3 N13 147.3(3) . . ?
C208 Rh3 N13 155.3(5) . . ?
C109 Rh3 N13 130.8(5) . . ?
C206 Rh3 N13 109.5(2) . . ?
C109 Rh3 C105 38.64(10) . . ?
N13 Rh3 C105 102.7(3) . . ?
C207 Rh3 N10 123.8(3) . . ?
C208 Rh3 N10 92.7(3) . . ?
C109 Rh3 N10 98.7(2) . . ?
C206 Rh3 N10 157.8(2) . . ?
N13 Rh3 N10 88.8(2) . . ?
C105 Rh3 N10 129.94(18) . . ?
C207 Rh3 N9 96.2(3) . . ?
C208 Rh3 N9 116.9(5) . . ?
C109 Rh3 N9 141.6(5) . . ?
C206 Rh3 N9 113.0(2) . . ?
N13 Rh3 N9 87.62(19) . . ?
C105 Rh3 N9 148.4(2) . . ?
N10 Rh3 N9 79.29(19) . . ?
C109 Rh3 C108 38.21(9) . . ?
N13 Rh3 C108 166.3(2) . . ?
C105 Rh3 C108 63.65(14) . . ?
N10 Rh3 C108 100.4(3) . . ?
N9 Rh3 C108 103.9(4) . . ?
C109 Rh3 C106 63.40(13) . . ?
N13 Rh3 C106 106.9(2) . . ?
C105 Rh3 C106 37.68(8) . . ?
N10 Rh3 C106 161.3(2) . . ?
N9 Rh3 C106 110.85(19) . . ?
C108 Rh3 C106 62.40(17) . . ?
C207 Rh3 C209 64.63(14) . . ?
C208 Rh3 C209 37.95(10) . . ?
C206 Rh3 C209 63.28(13) . . ?
N13 Rh3 C209 117.4(5) . . ?
N10 Rh3 C209 97.51(19) . . ?
N9 Rh3 C209 154.8(5) . . ?
C207 Rh3 C205 64.36(14) . . ?
C208 Rh3 C205 63.40(14) . . ?
C206 Rh3 C205 37.63(8) . . ?
N13 Rh3 C205 97.3(3) . . ?
N10 Rh3 C205 130.24(18) . . ?
N9 Rh3 C205 149.96(19) . . ?
C209 Rh3 C205 36.86(10) . . ?
N16 Rh4 C118 110.0(3) 2_666 . ?
N16 Rh4 C119 97.2(3) 2_666 . ?
C118 Rh4 C119 39.9(3) . . ?
N16 Rh4 N12 87.36(18) 2_666 . ?
C118 Rh4 N12 108.1(3) . . ?
C119 Rh4 N12 147.1(4) . . ?
N16 Rh4 C115 121.7(2) 2_666 . ?
C118 Rh4 C115 65.4(3) . . ?
C119 Rh4 C115 39.9(3) . . ?
N12 Rh4 C115 150.9(2) . . ?
N16 Rh4 C116 160.2(3) 2_666 . ?
C118 Rh4 C116 62.4(3) . . ?
C119 Rh4 C116 64.9(3) . . ?
N12 Rh4 C116 112.3(3) . . ?
C115 Rh4 C116 38.8(3) . . ?
N16 Rh4 N11 87.91(19) 2_666 . ?
C118 Rh4 N11 160.5(3) . . ?
C119 Rh4 N11 132.9(4) . . ?
N12 Rh4 N11 79.64(19) . . ?
C115 Rh4 N11 98.9(2) . . ?
C116 Rh4 N11 98.2(2) . . ?
N16 Rh4 C117 145.3(3) 2_666 . ?
C118 Rh4 C117 37.5(3) . . ?
C119 Rh4 C117 65.0(4) . . ?
N12 Rh4 C117 93.2(3) . . ?
C115 Rh4 C117 64.0(3) . . ?
C116 Rh4 C117 36.2(3) . . ?
N11 Rh4 C117 126.3(3) . . ?
C1 N1 C14 103.0(4) . . ?
C1 N1 Rh1 108.0(3) . . ?
C14 N1 Rh1 149.0(3) . . ?
C2 N2 C3 102.8(4) . . ?
C2 N2 Rh1 109.3(3) . . ?
C3 N2 Rh1 147.7(3) . . ?
C2 N3 C8 103.4(4) . . ?
C2 N3 Rh2 109.2(3) . . ?
C8 N3 Rh2 147.4(3) . . ?
C1 N4 C9 103.3(4) . . ?
C1 N4 Rh2 107.6(3) . . ?
C9 N4 Rh2 149.0(3) . . ?
C15 N5 C19 118.4(4) . . ?
C15 N5 Rh1 123.3(3) . . ?
C19 N5 Rh1 118.1(3) . . ?
C21 N6 C28 111.3(4) . . ?
C21 N6 C20 125.5(4) . . ?
C28 N6 C20 122.7(5) . . ?
C29 N7 C36 111.9(4) . . ?
C29 N7 C37 124.5(5) . . ?
C36 N7 C37 123.5(5) . . ?
C42 N8 C38 117.7(5) . . ?
C42 N8 Rh2 120.8(3) . 2_666 ?
C38 N8 Rh2 119.7(4) . 2_666 ?
C63 N9 C76 103.1(5) . . ?
C63 N9 Rh3 108.4(4) . . ?
C76 N9 Rh3 148.4(4) . . ?
C64 N10 C65 103.1(5) . . ?
C64 N10 Rh3 109.2(4) . . ?
C65 N10 Rh3 147.6(4) . . ?
C64 N11 C70 102.8(5) . . ?
C64 N11 Rh4 108.8(4) . . ?
C70 N11 Rh4 148.4(4) . . ?
C63 N12 C71 102.4(5) . . ?
C63 N12 Rh4 110.1(4) . . ?
C71 N12 Rh4 147.5(4) . . ?
C77 N13 C81 116.2(6) . . ?
C77 N13 Rh3 120.8(4) . . ?
C81 N13 Rh3 123.0(4) . . ?
C90 N14 C83 112.5(5) . . ?
C90 N14 C82 122.8(5) . . ?
C83 N14 C82 124.5(5) . . ?
C98 N15 C91 111.7(5) . . ?
C98 N15 C99 126.3(5) . . ?
C91 N15 C99 122.0(5) . . ?
C104 N16 C100 115.5(6) . . ?
C104 N16 Rh4 123.5(5) . 2_666 ?
C100 N16 Rh4 121.0(4) . 2_666 ?
O11 S1 O9 115.0(4) . . ?
O11 S1 O10 116.6(5) . . ?
O9 S1 O10 115.4(4) . . ?
O11 S1 C125 104.0(5) . . ?
O9 S1 C125 103.0(3) . . ?
O10 S1 C125 99.5(4) . . ?
O14 S2 O12 112.3(5) . . ?
O14 S2 O13 121.4(7) . . ?
O12 S2 O13 109.7(5) . . ?
O14 S2 C126 105.2(5) . . ?
O12 S2 C126 104.7(4) . . ?
O13 S2 C126 101.6(5) . . ?
O17 S3 O16 122.1(6) . . ?
O17 S3 O15 108.2(6) . . ?
O16 S3 O15 113.5(6) . . ?
O17 S3 C127 108.2(6) . . ?
O16 S3 C127 104.3(5) . . ?
O15 S3 C127 97.4(7) . . ?
N4 C1 N1 117.7(4) . . ?
N4 C1 C2 121.2(4) . . ?
N1 C1 C2 120.5(4) . . ?
N3 C2 N2 117.8(4) . . ?
N3 C2 C1 120.9(4) . . ?
N2 C2 C1 120.7(4) . . ?
C4 C3 N2 131.0(5) . . ?
C4 C3 C8 120.5(5) . . ?
N2 C3 C8 108.4(4) . . ?
C5 C4 C3 117.9(5) . . ?
C5 C4 H4 121.0 . . ?
C3 C4 H4 121.0 . . ?
C4 C5 C6 121.5(5) . . ?
C4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
C7 C6 C5 121.6(5) . . ?
C7 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C8 C7 C6 117.2(5) . . ?
C8 C7 H7 121.4 . . ?
C6 C7 H7 121.4 . . ?
C7 C8 N3 131.2(5) . . ?
C7 C8 C3 121.3(5) . . ?
N3 C8 C3 107.6(4) . . ?
N4 C9 C10 131.2(5) . . ?
N4 C9 C14 108.4(4) . . ?
C10 C9 C14 120.3(5) . . ?
C11 C10 C9 117.3(5) . . ?
C11 C10 H10 121.3 . . ?
C9 C10 H10 121.3 . . ?
C10 C11 C12 121.8(5) . . ?
C10 C11 H11 119.1 . . ?
C12 C11 H11 119.1 . . ?
C13 C12 C11 122.3(5) . . ?
C13 C12 H12 118.9 . . ?
C11 C12 H12 118.9 . . ?
C12 C13 C14 117.0(5) . . ?
C12 C13 H13 121.5 . . ?
C14 C13 H13 121.5 . . ?
C13 C14 N1 131.0(5) . . ?
C13 C14 C9 121.2(5) . . ?
N1 C14 C9 107.6(4) . . ?
N5 C15 C16 121.7(5) . . ?
N5 C15 H15 119.2 . . ?
C16 C15 H15 119.2 . . ?
C17 C16 C15 120.2(5) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 117.6(5) . . ?
C16 C17 C20 120.9(5) . . ?
C18 C17 C20 121.5(5) . . ?
C19 C18 C17 119.8(5) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
N5 C19 C18 122.4(5) . . ?
N5 C19 H19 118.8 . . ?
C18 C19 H19 118.8 . . ?
N6 C20 C17 112.4(4) . . ?
N6 C20 H20A 109.1 . . ?
C17 C20 H20A 109.1 . . ?
N6 C20 H20B 109.1 . . ?
C17 C20 H20B 109.1 . . ?
H20A C20 H20B 107.9 . . ?
O1 C21 N6 124.7(5) . . ?
O1 C21 C22 129.2(5) . . ?
N6 C21 C22 106.0(4) . . ?
C23 C22 C27 122.2(5) . . ?
C23 C22 C21 128.9(5) . . ?
C27 C22 C21 108.9(5) . . ?
C22 C23 C24 117.4(5) . . ?
C22 C23 H23 121.3 . . ?
C24 C23 H23 121.3 . . ?
C25 C24 C23 119.7(5) . . ?
C25 C24 C32 120.5(5) . . ?
C23 C24 C32 119.8(5) . . ?
C24 C25 C26 122.8(5) . . ?
C24 C25 H25 118.6 . . ?
C26 C25 H25 118.6 . . ?
C27 C26 C25 116.5(5) . . ?
C27 C26 H26 121.8 . . ?
C25 C26 H26 121.8 . . ?
C22 C27 C26 121.4(5) . . ?
C22 C27 C28 108.2(4) . . ?
C26 C27 C28 130.4(5) . . ?
O2 C28 N6 125.0(5) . . ?
O2 C28 C27 129.5(5) . . ?
N6 C28 C27 105.5(5) . . ?
O3 C29 N7 124.5(5) . . ?
O3 C29 C30 129.7(5) . . ?
N7 C29 C30 105.8(5) . . ?
C35 C30 C31 122.2(5) . . ?
C35 C30 C29 108.1(5) . . ?
C31 C30 C29 129.7(5) . . ?
C30 C31 C32 117.3(5) . . ?
C30 C31 H31 121.3 . . ?
C32 C31 H31 121.3 . . ?
C31 C32 C33 120.2(5) . . ?
C31 C32 C24 120.3(5) . . ?
C33 C32 C24 119.5(5) . . ?
C34 C33 C32 121.6(5) . . ?
C34 C33 H33 119.2 . . ?
C32 C33 H33 119.2 . . ?
C35 C34 C33 116.8(5) . . ?
C35 C34 H34 121.6 . . ?
C33 C34 H34 121.6 . . ?
C30 C35 C34 121.9(5) . . ?
C30 C35 C36 108.7(5) . . ?
C34 C35 C36 129.4(5) . . ?
O4 C36 N7 125.1(6) . . ?
O4 C36 C35 129.4(6) . . ?
N7 C36 C35 105.5(5) . . ?
N7 C37 C40 113.0(5) . . ?
N7 C37 H37A 109.0 . . ?
C40 C37 H37A 109.0 . . ?
N7 C37 H37B 109.0 . . ?
C40 C37 H37B 109.0 . . ?
H37A C37 H37B 107.8 . . ?
N8 C38 C39 122.4(5) . . ?
N8 C38 H38 118.8 . . ?
C39 C38 H38 118.8 . . ?
C40 C39 C38 120.5(5) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 117.4(5) . . ?
C39 C40 C37 122.9(5) . . ?
C41 C40 C37 119.7(5) . . ?
C42 C41 C40 119.4(5) . . ?
C42 C41 H41 120.3 . . ?
C40 C41 H41 120.3 . . ?
N8 C42 C41 122.5(5) . . ?
N8 C42 H42 118.7 . . ?
C41 C42 H42 118.7 . . ?
C44 C43 C47 107.5(6) . . ?
C44 C43 C48 125.3(5) . . ?
C47 C43 C48 127.2(6) . . ?
C44 C43 Rh1 71.9(3) . . ?
C47 C43 Rh1 71.1(3) . . ?
C48 C43 Rh1 124.3(4) . . ?
C43 C44 C45 108.3(6) . . ?
C43 C44 C49 125.3(5) . . ?
C45 C44 C49 126.4(6) . . ?
C43 C44 Rh1 69.4(3) . . ?
C45 C44 Rh1 69.6(3) . . ?
C49 C44 Rh1 126.3(4) . . ?
C44 C45 C46 107.4(6) . . ?
C44 C45 C50 127.1(6) . . ?
C46 C45 C50 125.2(6) . . ?
C44 C45 Rh1 71.4(3) . . ?
C46 C45 Rh1 71.3(3) . . ?
C50 C45 Rh1 127.5(4) . . ?
C47 C46 C45 108.2(5) . . ?
C47 C46 C51 127.1(8) . . ?
C45 C46 C51 124.7(8) . . ?
C47 C46 Rh1 70.5(3) . . ?
C45 C46 Rh1 69.6(3) . . ?
C51 C46 Rh1 126.4(4) . . ?
C46 C47 C43 108.4(6) . . ?
C46 C47 C52 126.7(7) . . ?
C43 C47 C52 124.9(7) . . ?
C46 C47 Rh1 71.2(3) . . ?
C43 C47 Rh1 69.5(3) . . ?
C52 C47 Rh1 126.2(4) . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C43 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C46 C51 H51A 109.5 . . ?
C46 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C46 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C47 C52 H52A 109.5 . . ?
C47 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C47 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
C54 C53 C57 107.2(5) . . ?
C54 C53 C58 127.0(5) . . ?
C57 C53 C58 125.5(6) . . ?
C54 C53 Rh2 70.8(3) . . ?
C57 C53 Rh2 69.9(3) . . ?
C58 C53 Rh2 128.7(4) . . ?
C53 C54 C55 108.9(5) . . ?
C53 C54 C59 125.4(5) . . ?
C55 C54 C59 125.8(5) . . ?
C53 C54 Rh2 70.8(3) . . ?
C55 C54 Rh2 69.3(3) . . ?
C59 C54 Rh2 125.4(4) . . ?
C54 C55 C56 107.2(5) . . ?
C54 C55 C60 126.8(5) . . ?
C56 C55 C60 125.6(5) . . ?
C54 C55 Rh2 71.6(3) . . ?
C56 C55 Rh2 71.6(3) . . ?
C60 C55 Rh2 127.7(4) . . ?
C57 C56 C55 108.3(5) . . ?
C57 C56 C61 126.8(5) . . ?
C55 C56 C61 124.9(5) . . ?
C57 C56 Rh2 70.4(3) . . ?
C55 C56 Rh2 69.3(3) . . ?
C61 C56 Rh2 126.7(4) . . ?
C56 C57 C53 108.2(5) . . ?
C56 C57 C62 126.0(5) . . ?
C53 C57 C62 125.6(5) . . ?
C56 C57 Rh2 71.3(3) . . ?
C53 C57 Rh2 70.8(3) . . ?
C62 C57 Rh2 126.4(4) . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C54 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C54 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C56 C61 H61A 109.5 . . ?
C56 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C56 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C57 C62 H62A 109.5 . . ?
C57 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C57 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
N9 C63 N12 118.4(5) . . ?
N9 C63 C64 121.6(6) . . ?
N12 C63 C64 119.7(6) . . ?
N10 C64 N11 118.3(5) . . ?
N10 C64 C63 120.4(6) . . ?
N11 C64 C63 120.7(5) . . ?
N10 C65 C66 131.3(6) . . ?
N10 C65 C70 108.2(5) . . ?
C66 C65 C70 120.4(6) . . ?
C67 C66 C65 117.5(7) . . ?
C67 C66 H66 121.2 . . ?
C65 C66 H66 121.2 . . ?
C66 C67 C68 122.2(7) . . ?
C66 C67 H67 118.9 . . ?
C68 C67 H67 118.9 . . ?
C67 C68 C69 122.0(8) . . ?
C67 C68 H68 119.0 . . ?
C69 C68 H68 119.0 . . ?
C70 C69 C68 116.5(7) . . ?
C70 C69 H69 121.7 . . ?
C68 C69 H69 121.7 . . ?
C69 C70 N11 130.9(6) . . ?
C69 C70 C65 121.3(6) . . ?
N11 C70 C65 107.6(6) . . ?
N12 C71 C72 132.1(6) . . ?
N12 C71 C76 108.5(5) . . ?
C72 C71 C76 119.4(6) . . ?
C73 C72 C71 118.2(6) . . ?
C73 C72 H72 120.9 . . ?
C71 C72 H72 120.9 . . ?
C72 C73 C74 121.7(6) . . ?
C72 C73 H73 119.1 . . ?
C74 C73 H73 119.1 . . ?
C75 C74 C73 121.6(6) . . ?
C75 C74 H74 119.2 . . ?
C73 C74 H74 119.2 . . ?
C74 C75 C76 117.2(6) . . ?
C74 C75 H75 121.4 . . ?
C76 C75 H75 121.4 . . ?
C75 C76 N9 130.4(6) . . ?
C75 C76 C71 121.9(6) . . ?
N9 C76 C71 107.6(5) . . ?
N13 C77 C78 123.1(6) . . ?
N13 C77 H77 118.5 . . ?
C78 C77 H77 118.5 . . ?
C77 C78 C79 120.3(5) . . ?
C77 C78 H78 119.8 . . ?
C79 C78 H78 119.8 . . ?
C78 C79 C80 117.1(6) . . ?
C78 C79 C82 123.6(5) . . ?
C80 C79 C82 119.2(5) . . ?
C81 C80 C79 119.8(6) . . ?
C81 C80 H80 120.1 . . ?
C79 C80 H80 120.1 . . ?
C80 C81 N13 123.4(6) . . ?
C80 C81 H81 118.3 . . ?
N13 C81 H81 118.3 . . ?
N14 C82 C79 113.2(5) . . ?
N14 C82 H82A 108.9 . . ?
C79 C82 H82A 108.9 . . ?
N14 C82 H82B 108.9 . . ?
C79 C82 H82B 108.9 . . ?
H82A C82 H82B 107.8 . . ?
O5 C83 N14 124.4(5) . . ?
O5 C83 C84 131.0(5) . . ?
N14 C83 C84 104.6(5) . . ?
C85 C84 C89 122.7(5) . . ?
C85 C84 C83 128.7(5) . . ?
C89 C84 C83 108.5(5) . . ?
C84 C85 C86 117.2(5) . . ?
C84 C85 H85 121.4 . . ?
C86 C85 H85 121.4 . . ?
C87 C86 C85 119.3(5) . . ?
C87 C86 C94 120.7(5) . . ?
C85 C86 C94 119.9(5) . . ?
C88 C87 C86 122.1(5) . . ?
C88 C87 H87 119.0 . . ?
C86 C87 H87 119.0 . . ?
C89 C88 C87 117.2(6) . . ?
C89 C88 H88 121.4 . . ?
C87 C88 H88 121.4 . . ?
C88 C89 C84 121.4(6) . . ?
C88 C89 C90 129.5(6) . . ?
C84 C89 C90 109.0(5) . . ?
O6 C90 N14 124.3(6) . . ?
O6 C90 C89 130.4(6) . . ?
N14 C90 C89 105.3(5) . . ?
O7 C91 N15 124.4(6) . . ?
O7 C91 C92 129.8(6) . . ?
N15 C91 C92 105.8(5) . . ?
C93 C92 C97 122.2(5) . . ?
C93 C92 C91 129.9(5) . . ?
C97 C92 C91 107.9(5) . . ?
C92 C93 C94 118.2(5) . . ?
C92 C93 H93 120.9 . . ?
C94 C93 H93 120.9 . . ?
C95 C94 C93 118.5(5) . . ?
C95 C94 C86 121.6(5) . . ?
C93 C94 C86 119.9(5) . . ?
C96 C95 C94 123.3(5) . . ?
C96 C95 H95 118.4 . . ?
C94 C95 H95 118.4 . . ?
C95 C96 C97 117.7(5) . . ?
C95 C96 H96 121.2 . . ?
C97 C96 H96 121.2 . . ?
C96 C97 C92 120.2(5) . . ?
C96 C97 C98 131.0(5) . . ?
C92 C97 C98 108.8(5) . . ?
O8 C98 N15 124.7(6) . . ?
O8 C98 C97 129.5(6) . . ?
N15 C98 C97 105.8(5) . . ?
N15 C99 C102 111.3(5) . . ?
N15 C99 H99A 109.4 . . ?
C102 C99 H99A 109.4 . . ?
N15 C99 H99B 109.4 . . ?
C102 C99 H99B 109.4 . . ?
H99A C99 H99B 108.0 . . ?
N16 C100 C101 123.9(6) . . ?
N16 C100 H100 118.0 . . ?
C101 C100 H100 118.0 . . ?
C102 C101 C100 121.2(6) . . ?
C102 C101 H101 119.4 . . ?
C100 C101 H101 119.4 . . ?
C101 C102 C103 115.6(7) . . ?
C101 C102 C99 122.8(6) . . ?
C103 C102 C99 121.6(6) . . ?
C104 C103 C102 120.1(7) . . ?
C104 C103 H103 119.9 . . ?
C102 C103 H103 119.9 . . ?
N16 C104 C103 123.7(7) . . ?
N16 C104 H104 118.2 . . ?
C103 C104 H104 118.2 . . ?
C109 C105 C106 108.0 . . ?
C109 C105 C110 126.0 . . ?
C106 C105 C110 126.0 . . ?
C109 C105 Rh3 69.83(16) . . ?
C106 C105 Rh3 74.2(3) . . ?
C110 C105 Rh3 121.7(3) . . ?
C105 C106 C107 108.0 . . ?
C105 C106 C111 126.0 . . ?
C107 C106 C111 126.0 . . ?
C105 C106 Rh3 68.2(3) . . ?
C107 C106 Rh3 72.6(2) . . ?
C111 C106 Rh3 124.81(15) . . ?
C108 C107 C106 108.0 . . ?
C108 C107 C112 126.0 . . ?
C106 C107 C112 126.0 . . ?
C108 C107 Rh3 69.12(17) . . ?
C106 C107 Rh3 70.59(17) . . ?
C112 C107 Rh3 125.9(2) . . ?
C107 C108 C109 108.0 . . ?
C107 C108 C113 126.0 . . ?
C109 C108 C113 126.0 . . ?
C107 C108 Rh3 73.8(2) . . ?
C109 C108 Rh3 68.4(3) . . ?
C113 C108 Rh3 123.43(14) . . ?
C105 C109 C108 108.0 . . ?
C105 C109 C114 126.0 . . ?
C108 C109 C114 126.0 . . ?
C105 C109 Rh3 71.53(15) . . ?
C108 C109 Rh3 73.4(3) . . ?
C114 C109 Rh3 120.8(2) . . ?
C105 C110 H11A 109.5 . . ?
C105 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C105 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C106 C111 H11D 109.5 . . ?
C106 C111 H11E 109.5 . . ?
H11D C111 H11E 109.5 . . ?
C106 C111 H11F 109.5 . . ?
H11D C111 H11F 109.5 . . ?
H11E C111 H11F 109.5 . . ?
C107 C112 H11G 109.5 . . ?
C107 C112 H11H 109.5 . . ?
H11G C112 H11H 109.5 . . ?
C107 C112 H11I 109.5 . . ?
H11G C112 H11I 109.5 . . ?
H11H C112 H11I 109.5 . . ?
C108 C113 H11J 109.5 . . ?
C108 C113 H11K 109.5 . . ?
H11J C113 H11K 109.5 . . ?
C108 C113 H11L 109.5 . . ?
H11J C113 H11L 109.5 . . ?
H11K C113 H11L 109.5 . . ?
C109 C114 H11M 109.5 . . ?
C109 C114 H11N 109.5 . . ?
H11M C114 H11N 109.5 . . ?
C109 C114 H11O 109.5 . . ?
H11M C114 H11O 109.5 . . ?
H11N C114 H11O 109.5 . . ?
C209 C205 C206 108.0 . . ?
C209 C205 C210 126.0 . . ?
C206 C205 C210 126.0 . . ?
C209 C205 Rh3 71.03(17) . . ?
C206 C205 Rh3 66.8(3) . . ?
C210 C205 Rh3 127.7(2) . . ?
C207 C206 C205 108.0 . . ?
C207 C206 C211 126.0 . . ?
C205 C206 C211 126.0 . . ?
C207 C206 Rh3 66.8(2) . . ?
C205 C206 Rh3 75.5(3) . . ?
C211 C206 Rh3 123.16(18) . . ?
C206 C207 C208 108.0 . . ?
C206 C207 C212 126.0 . . ?
C208 C207 C212 126.0 . . ?
C206 C207 Rh3 73.60(17) . . ?
C208 C207 Rh3 72.5(2) . . ?
C212 C207 Rh3 119.7(3) . . ?
C209 C208 C207 108.0 . . ?
C209 C208 C213 126.0 . . ?
C207 C208 C213 126.0 . . ?
C209 C208 Rh3 75.8(3) . . ?
C207 C208 Rh3 67.6(3) . . ?
C213 C208 Rh3 122.22(14) . . ?
C205 C209 C208 108.0 . . ?
C205 C209 C214 126.0 . . ?
C208 C209 C214 126.0 . . ?
C205 C209 Rh3 72.11(14) . . ?
C208 C209 Rh3 66.3(2) . . ?
C214 C209 Rh3 127.1(2) . . ?
C205 C210 H21A 109.5 . . ?
C205 C210 H21B 109.5 . . ?
H21A C210 H21B 109.5 . . ?
C205 C210 H21C 109.5 . . ?
H21A C210 H21C 109.5 . . ?
H21B C210 H21C 109.5 . . ?
C206 C211 H21D 109.5 . . ?
C206 C211 H21E 109.5 . . ?
H21D C211 H21E 109.5 . . ?
C206 C211 H21F 109.5 . . ?
H21D C211 H21F 109.5 . . ?
H21E C211 H21F 109.5 . . ?
C207 C212 H21G 109.5 . . ?
C207 C212 H21H 109.5 . . ?
H21G C212 H21H 109.5 . . ?
C207 C212 H21I 109.5 . . ?
H21G C212 H21I 109.5 . . ?
H21H C212 H21I 109.5 . . ?
C208 C213 H21J 109.5 . . ?
C208 C213 H21K 109.5 . . ?
H21J C213 H21K 109.5 . . ?
C208 C213 H21L 109.5 . . ?
H21J C213 H21L 109.5 . . ?
H21K C213 H21L 109.5 . . ?
C209 C214 H21M 109.5 . . ?
C209 C214 H21N 109.5 . . ?
H21M C214 H21N 109.5 . . ?
C209 C214 H21O 109.5 . . ?
H21M C214 H21O 109.5 . . ?
H21N C214 H21O 109.5 . . ?
C116 C115 C119 105.6(7) . . ?
C116 C115 C120 123.9(7) . . ?
C119 C115 C120 130.4(8) . . ?
C116 C115 Rh4 70.9(4) . . ?
C119 C115 Rh4 69.6(4) . . ?
C120 C115 Rh4 126.8(4) . . ?
C117 C116 C115 111.5(8) . . ?
C117 C116 C121 122.8(8) . . ?
C115 C116 C121 125.7(7) . . ?
C117 C116 Rh4 73.0(4) . . ?
C115 C116 Rh4 70.3(4) . . ?
C121 C116 Rh4 123.4(5) . . ?
C116 C117 C118 108.3(8) . . ?
C116 C117 C122 129.3(11) . . ?
C118 C117 C122 122.3(9) . . ?
C116 C117 Rh4 70.8(4) . . ?
C118 C117 Rh4 68.8(4) . . ?
C122 C117 Rh4 124.7(6) . . ?
C117 C118 C119 109.9(7) . . ?
C117 C118 C123 126.3(11) . . ?
C119 C118 C123 123.4(11) . . ?
C117 C118 Rh4 73.7(4) . . ?
C119 C118 Rh4 70.6(4) . . ?
C123 C118 Rh4 127.4(5) . . ?
C124 C119 C118 128.3(12) . . ?
C124 C119 C115 127.0(12) . . ?
C118 C119 C115 104.7(7) . . ?
C124 C119 Rh4 124.4(6) . . ?
C118 C119 Rh4 69.5(4) . . ?
C115 C119 Rh4 70.5(4) . . ?
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 . . ?
F3 C125 F1 107.2(6) . . ?
F3 C125 F2 106.7(9) . . ?
F1 C125 F2 107.3(8) . . ?
F3 C125 S1 113.7(7) . . ?
F1 C125 S1 111.3(6) . . ?
F2 C125 S1 110.3(5) . . ?
F6 C126 F4 106.3(9) . . ?
F6 C126 F5 108.6(11) . . ?
F4 C126 F5 106.9(10) . . ?
F6 C126 S2 112.2(8) . . ?
F4 C126 S2 110.7(9) . . ?
F5 C126 S2 111.9(6) . . ?
F8 C127 F9 109.1(11) . . ?
F8 C127 F7 107.4(12) . . ?
F9 C127 F7 99.4(12) . . ?
F8 C127 S3 115.2(10) . . ?
F9 C127 S3 113.1(11) . . ?
F7 C127 S3 111.4(8) . . ?
C133 C129 C130 124.1(15) 2_676 . ?
C133 C129 H129 118.0 2_676 . ?
C130 C129 H129 118.0 . . ?
C129 C130 C131 119.9(13) . . ?
C129 C130 H130 120.0 . . ?
C131 C130 H130 120.0 . . ?
C136 C131 C132 118.9(15) . . ?
C136 C131 C130 123.6(16) . . ?
C132 C131 C130 117.3(13) . . ?
C133 C132 C132 122.5(14) . 2_676 ?
C133 C132 C131 120.2(13) . . ?
C132 C132 C131 117.2(13) 2_676 . ?
C129 C133 C132 118.8(17) 2_676 . ?
C129 C133 C134 119.3(16) 2_676 . ?
C132 C133 C134 121.8(15) . . ?
C135 C134 C133 108.8(16) . . ?
C135 C134 H134 125.6 . . ?
C133 C134 H134 125.6 . . ?
C136 C135 C134 133(2) . . ?
C136 C135 H135 113.5 . . ?
C134 C135 H135 113.5 . . ?
C135 C136 C131 117(2) . . ?
C135 C136 H136 121.4 . . ?
C131 C136 H136 121.4 . . ?
C150 C137 C138 134.2(16) . . ?
C150 C137 H137 112.9 . . ?
C138 C137 H137 112.9 . . ?
C137 C138 C139 114.8(11) . . ?
C137 C138 H138 122.6 . . ?
C139 C138 H138 122.6 . . ?
C140 C139 C151 122.6(15) . . ?
C140 C139 C138 120.1(14) . . ?
C151 C139 C138 117.2(11) . . ?
C139 C140 C141 109.9(16) . . ?
C139 C140 H140 125.1 . . ?
C141 C140 H140 125.1 . . ?
C142 C141 C140 139.8(17) . . ?
C142 C141 H141 110.1 . . ?
C140 C141 H141 110.1 . . ?
C141 C142 C143 101.4(16) . . ?
C141 C142 H142 129.3 . . ?
C143 C142 H142 129.3 . . ?
C144 C143 C151 115(2) . . ?
C144 C143 C142 116(2) . . ?
C151 C143 C142 129.4(17) . . ?
C143 C144 C145 127.9(19) . . ?
C143 C144 H144 116.1 . . ?
C145 C144 H144 116.1 . . ?
C146 C145 C144 117.1(12) . . ?
C146 C145 H145 121.5 . . ?
C144 C145 H145 121.5 . . ?
C147 C146 C145 123.2(17) . . ?
C147 C146 C152 119.4(16) . . ?
C145 C146 C152 117.4(13) . . ?
C146 C147 C148 113.9(18) . . ?
C146 C147 H147 123.1 . . ?
C148 C147 H147 123.1 . . ?
C149 C148 C147 139.0(18) . . ?
C149 C148 H148 110.5 . . ?
C147 C148 H148 110.5 . . ?
C148 C149 C150 101.6(15) . . ?
C148 C149 H149 129.2 . . ?
C150 C149 H149 129.2 . . ?
C137 C150 C152 106.5(15) . . ?
C137 C150 C149 120.9(16) . . ?
C152 C150 C149 132.5(16) . . ?
C143 C151 C152 129.3(14) . . ?
C143 C151 C139 116.5(14) . . ?
C152 C151 C139 114.2(10) . . ?
C150 C152 C151 133.0(12) . . ?
C150 C152 C146 113.4(13) . . ?
C151 C152 C146 113.6(11) . . ?
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 N5 2.108(4) . ?
Rh1 C43 2.138(5) . ?
Rh1 C45 2.146(5) . ?
Rh1 N2 2.147(4) . ?
Rh1 C47 2.160(5) . ?
Rh1 C46 2.169(5) . ?
Rh1 C44 2.171(5) . ?
Rh1 N1 2.195(4) . ?
Rh2 N8 2.115(5) 2_666 ?
Rh2 C55 2.131(5) . ?
Rh2 C57 2.149(6) . ?
Rh2 N3 2.157(4) . ?
Rh2 C54 2.161(5) . ?
Rh2 C53 2.161(6) . ?
Rh2 C56 2.161(5) . ?
Rh2 N4 2.199(4) . ?
Rh3 C207 2.049(7) . ?
Rh3 C208 2.114(5) . ?
Rh3 C109 2.135(5) . ?
Rh3 C206 2.138(5) . ?
Rh3 N13 2.148(5) . ?
Rh3 C105 2.157(4) . ?
Rh3 N10 2.167(5) . ?
Rh3 N9 2.192(5) . ?
Rh3 C108 2.201(6) . ?
Rh3 C106 2.236(5) . ?
Rh3 C209 2.237(6) . ?
Rh3 C205 2.252(5) . ?
Rh4 N16 2.125(5) 2_666 ?
Rh4 C118 2.127(6) . ?
Rh4 C119 2.142(7) . ?
Rh4 N12 2.146(5) . ?
Rh4 C115 2.155(6) . ?
Rh4 C116 2.162(7) . ?
Rh4 N11 2.182(5) . ?
Rh4 C117 2.189(8) . ?
N1 C1 1.336(6) . ?
N1 C14 1.397(6) . ?
N2 C2 1.332(6) . ?
N2 C3 1.395(6) . ?
N3 C2 1.327(6) . ?
N3 C8 1.398(6) . ?
N4 C1 1.324(6) . ?
N4 C9 1.384(6) . ?
N5 C15 1.339(7) . ?
N5 C19 1.351(6) . ?
N6 C21 1.403(7) . ?
N6 C28 1.404(7) . ?
N6 C20 1.457(6) . ?
N7 C29 1.389(7) . ?
N7 C36 1.397(8) . ?
N7 C37 1.444(7) . ?
N8 C42 1.351(7) . ?
N8 C38 1.351(6) . ?
N9 C63 1.313(8) . ?
N9 C76 1.404(8) . ?
N10 C64 1.332(7) . ?
N10 C65 1.390(8) . ?
N11 C64 1.333(8) . ?
N11 C70 1.405(7) . ?
N12 C63 1.350(7) . ?
N12 C71 1.389(7) . ?
N13 C77 1.349(7) . ?
N13 C81 1.355(8) . ?
N14 C90 1.394(8) . ?
N14 C83 1.414(7) . ?
N14 C82 1.469(7) . ?
N15 C98 1.406(7) . ?
N15 C91 1.409(7) . ?
N15 C99 1.460(8) . ?
N16 C104 1.319(9) . ?
N16 C100 1.324(7) . ?
O1 C21 1.214(6) . ?
O2 C28 1.199(7) . ?
O3 C29 1.203(6) . ?
O4 C36 1.208(7) . ?
O5 C83 1.195(6) . ?
O6 C90 1.197(7) . ?
O7 C91 1.203(7) . ?
O8 C98 1.208(7) . ?
O9 S1 1.426(4) . ?
O10 S1 1.438(5) . ?
O11 S1 1.393(6) . ?
O12 S2 1.408(5) . ?
O13 S2 1.436(7) . ?
O14 S2 1.376(6) . ?
O15 S3 1.550(9) . ?
O16 S3 1.368(7) . ?
O17 S3 1.361(7) . ?
S1 C125 1.809(9) . ?
S2 C126 1.794(11) . ?
S3 C127 1.744(13) . ?
F1 C125 1.327(8) . ?
F2 C125 1.331(10) . ?
F3 C125 1.298(9) . ?
F4 C126 1.307(11) . ?
F5 C126 1.328(11) . ?
F6 C126 1.269(10) . ?
F7 C127 1.352(11) . ?
F8 C127 1.271(11) . ?
F9 C127 1.302(14) . ?
C1 C2 1.420(7) . ?
C3 C4 1.395(7) . ?
C3 C8 1.413(7) . ?
C4 C5 1.372(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.397(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(8) . ?
C6 H6 0.9500 . ?
C7 C8 1.388(7) . ?
C7 H7 0.9500 . ?
C9 C10 1.411(7) . ?
C9 C14 1.416(7) . ?
C10 C11 1.363(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.397(8) . ?
C11 H11 0.9500 . ?
C12 C13 1.371(8) . ?
C12 H12 0.9500 . ?
C13 C14 1.392(7) . ?
C13 H13 0.9500 . ?
C15 C16 1.384(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.375(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.396(7) . ?
C17 C20 1.510(7) . ?
C18 C19 1.361(7) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.470(7) . ?
C22 C23 1.369(7) . ?
C22 C27 1.376(7) . ?
C23 C24 1.412(7) . ?
C23 H23 0.9500 . ?
C24 C25 1.372(8) . ?
C24 C32 1.497(8) . ?
C25 C26 1.392(8) . ?
C25 H25 0.9500 . ?
C26 C27 1.384(7) . ?
C26 H26 0.9500 . ?
C27 C28 1.490(7) . ?
C29 C30 1.493(7) . ?
C30 C35 1.369(8) . ?
C30 C31 1.373(7) . ?
C31 C32 1.386(7) . ?
C31 H31 0.9500 . ?
C32 C33 1.405(8) . ?
C33 C34 1.383(9) . ?
C33 H33 0.9500 . ?
C34 C35 1.375(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.487(8) . ?
C37 C40 1.517(7) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 C39 1.377(7) . ?
C38 H38 0.9500 . ?
C39 C40 1.377(7) . ?
C39 H39 0.9500 . ?
C40 C41 1.405(7) . ?
C41 C42 1.383(8) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C44 1.431(8) . ?
C43 C47 1.451(8) . ?
C43 C48 1.489(9) . ?
C44 C45 1.442(8) . ?
C44 C49 1.491(8) . ?
C45 C46 1.446(10) . ?
C45 C50 1.485(10) . ?
C46 C47 1.419(10) . ?
C46 C51 1.498(9) . ?
C47 C52 1.492(10) . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 H49C 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 C54 1.419(8) . ?
C53 C57 1.451(7) . ?
C53 C58 1.496(8) . ?
C54 C55 1.437(7) . ?
C54 C59 1.507(7) . ?
C55 C56 1.438(7) . ?
C55 C60 1.485(8) . ?
C56 C57 1.416(8) . ?
C56 C61 1.496(7) . ?
C57 C62 1.493(8) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 C64 1.420(8) . ?
C65 C66 1.396(8) . ?
C65 C70 1.427(9) . ?
C66 C67 1.365(10) . ?
C66 H66 0.9500 . ?
C67 C68 1.377(11) . ?
C67 H67 0.9500 . ?
C68 C69 1.403(9) . ?
C68 H68 0.9500 . ?
C69 C70 1.376(10) . ?
C69 H69 0.9500 . ?
C71 C72 1.392(8) . ?
C71 C76 1.420(9) . ?
C72 C73 1.371(9) . ?
C72 H72 0.9500 . ?
C73 C74 1.393(9) . ?
C73 H73 0.9500 . ?
C74 C75 1.376(9) . ?
C74 H74 0.9500 . ?
C75 C76 1.380(8) . ?
C75 H75 0.9500 . ?
C77 C78 1.362(8) . ?
C77 H77 0.9500 . ?
C78 C79 1.365(8) . ?
C78 H78 0.9500 . ?
C79 C80 1.402(8) . ?
C79 C82 1.490(9) . ?
C80 C81 1.342(9) . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.499(7) . ?
C84 C85 1.363(7) . ?
C84 C89 1.375(8) . ?
C85 C86 1.411(7) . ?
C85 H85 0.9500 . ?
C86 C87 1.397(8) . ?
C86 C94 1.488(7) . ?
C87 C88 1.386(9) . ?
C87 H87 0.9500 . ?
C88 C89 1.365(8) . ?
C88 H88 0.9500 . ?
C89 C90 1.489(8) . ?
C91 C92 1.495(8) . ?
C92 C93 1.376(7) . ?
C92 C97 1.392(7) . ?
C93 C94 1.403(7) . ?
C93 H93 0.9500 . ?
C94 C95 1.401(7) . ?
C95 C96 1.366(8) . ?
C95 H95 0.9500 . ?
C96 C97 1.387(8) . ?
C96 H96 0.9500 . ?
C97 C98 1.485(8) . ?
C99 C102 1.491(9) . ?
C99 H99A 0.9900 . ?
C99 H99B 0.9900 . ?
C100 C101 1.353(9) . ?
C100 H100 0.9500 . ?
C101 C102 1.352(8) . ?
C101 H101 0.9500 . ?
C102 C103 1.378(10) . ?
C103 C104 1.368(12) . ?
C103 H103 0.9500 . ?
C104 H104 0.9500 . ?
C105 C109 1.420(3) . ?
C105 C106 1.420(3) . ?
C105 C110 1.510(3) . ?
C106 C107 1.420(3) . ?
C106 C111 1.510(3) . ?
C107 C108 1.420(3) . ?
C107 C112 1.510(3) . ?
C108 C109 1.420(3) . ?
C108 C113 1.510(3) . ?
C109 C114 1.510(3) . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 H11D 0.9800 . ?
C111 H11E 0.9800 . ?
C111 H11F 0.9800 . ?
C112 H11G 0.9800 . ?
C112 H11H 0.9800 . ?
C112 H11I 0.9800 . ?
C113 H11J 0.9800 . ?
C113 H11K 0.9800 . ?
C113 H11L 0.9800 . ?
C114 H11M 0.9800 . ?
C114 H11N 0.9800 . ?
C114 H11O 0.9800 . ?
C205 C209 1.419(3) . ?
C205 C206 1.420(3) . ?
C205 C210 1.509(3) . ?
C206 C207 1.419(3) . ?
C206 C211 1.509(3) . ?
C207 C208 1.420(3) . ?
C207 C212 1.509(3) . ?
C208 C209 1.419(3) . ?
C208 C213 1.509(3) . ?
C209 C214 1.509(3) . ?
C210 H21A 0.9800 . ?
C210 H21B 0.9800 . ?
C210 H21C 0.9800 . ?
C211 H21D 0.9800 . ?
C211 H21E 0.9800 . ?
C211 H21F 0.9800 . ?
C212 H21G 0.9800 . ?
C212 H21H 0.9800 . ?
C212 H21I 0.9800 . ?
C213 H21J 0.9800 . ?
C213 H21K 0.9800 . ?
C213 H21L 0.9800 . ?
C214 H21M 0.9800 . ?
C214 H21N 0.9800 . ?
C214 H21O 0.9800 . ?
C115 C116 1.433(10) . ?
C115 C119 1.466(12) . ?
C115 C120 1.475(9) . ?
C116 C117 1.352(10) . ?
C116 C121 1.528(12) . ?
C117 C118 1.387(12) . ?
C117 C122 1.493(13) . ?
C118 C119 1.455(13) . ?
C118 C123 1.506(11) . ?
C119 C124 1.440(13) . ?
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 . ?
C129 C133 1.358(18) 2_676 ?
C129 C130 1.386(15) . ?
C129 H129 0.9500 . ?
C130 C131 1.474(17) . ?
C130 H130 0.9500 . ?
C131 C136 1.362(18) . ?
C131 C132 1.473(15) . ?
C132 C133 1.406(15) . ?
C132 C132 1.45(2) 2_676 ?
C133 C134 1.49(2) . ?
C134 C135 1.42(3) . ?
C134 H134 0.9500 . ?
C135 C136 1.34(2) . ?
C135 H135 0.9500 . ?
C136 H136 0.9500 . ?
C137 C150 1.363(9) . ?
C137 C138 1.413(15) . ?
C137 H137 0.9500 . ?
C138 C139 1.517(14) . ?
C138 H138 0.9500 . ?
C139 C140 1.333(16) . ?
C139 C151 1.494(9) . ?
C140 C141 1.487(14) . ?
C140 H140 0.9500 . ?
C141 C142 1.381(16) . ?
C141 H141 0.9500 . ?
C142 C143 1.469(18) . ?
C142 H142 0.9500 . ?
C143 C144 1.280(16) . ?
C143 C151 1.415(19) . ?
C144 C145 1.49(2) . ?
C144 H144 0.9500 . ?
C145 C146 1.465(14) . ?
C145 H145 0.9500 . ?
C146 C147 1.337(17) . ?
C146 C152 1.544(16) . ?
C147 C148 1.448(17) . ?
C147 H147 0.9500 . ?
C148 C149 1.351(18) . ?
C148 H148 0.9500 . ?
C149 C150 1.432(16) . ?
C149 H149 0.9500 . ?
C150 C152 1.423(17) . ?
C151 C152 1.425(15) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C9 N4 C1 N1 0.6(6) . . . . ?
Rh2 N4 C1 N1 -178.2(4) . . . . ?
C9 N4 C1 C2 -169.9(5) . . . . ?
Rh2 N4 C1 C2 11.3(6) . . . . ?
C14 N1 C1 N4 0.3(6) . . . . ?
Rh1 N1 C1 N4 -178.5(4) . . . . ?
C14 N1 C1 C2 170.8(4) . . . . ?
Rh1 N1 C1 C2 -8.0(5) . . . . ?
C8 N3 C2 N2 0.8(6) . . . . ?
Rh2 N3 C2 N2 -177.9(3) . . . . ?
C8 N3 C2 C1 172.0(5) . . . . ?
Rh2 N3 C2 C1 -6.7(6) . . . . ?
C3 N2 C2 N3 -0.6(6) . . . . ?
Rh1 N2 C2 N3 -176.6(3) . . . . ?
C3 N2 C2 C1 -171.9(4) . . . . ?
Rh1 N2 C2 C1 12.2(6) . . . . ?
N4 C1 C2 N3 -3.6(8) . . . . ?
N1 C1 C2 N3 -173.8(4) . . . . ?
N4 C1 C2 N2 167.4(5) . . . . ?
N1 C1 C2 N2 -2.9(7) . . . . ?
C2 N2 C3 C4 177.9(5) . . . . ?
Rh1 N2 C3 C4 -9.4(10) . . . . ?
C2 N2 C3 C8 0.2(5) . . . . ?
Rh1 N2 C3 C8 173.0(5) . . . . ?
N2 C3 C4 C5 -178.2(5) . . . . ?
C8 C3 C4 C5 -0.8(7) . . . . ?
C3 C4 C5 C6 -0.6(8) . . . . ?
C4 C5 C6 C7 1.4(9) . . . . ?
C5 C6 C7 C8 -0.8(8) . . . . ?
C6 C7 C8 N3 178.3(5) . . . . ?
C6 C7 C8 C3 -0.6(8) . . . . ?
C2 N3 C8 C7 -179.6(5) . . . . ?
Rh2 N3 C8 C7 -1.9(10) . . . . ?
C2 N3 C8 C3 -0.6(5) . . . . ?
Rh2 N3 C8 C3 177.1(5) . . . . ?
C4 C3 C8 C7 1.4(8) . . . . ?
N2 C3 C8 C7 179.4(5) . . . . ?
C4 C3 C8 N3 -177.7(4) . . . . ?
N2 C3 C8 N3 0.3(5) . . . . ?
C1 N4 C9 C10 175.9(6) . . . . ?
Rh2 N4 C9 C10 -6.2(11) . . . . ?
C1 N4 C9 C14 -1.3(5) . . . . ?
Rh2 N4 C9 C14 176.6(5) . . . . ?
N4 C9 C10 C11 -177.2(6) . . . . ?
C14 C9 C10 C11 -0.3(8) . . . . ?
C9 C10 C11 C12 1.8(9) . . . . ?
C10 C11 C12 C13 -2.4(10) . . . . ?
C11 C12 C13 C14 1.3(9) . . . . ?
C12 C13 C14 N1 174.3(5) . . . . ?
C12 C13 C14 C9 0.2(8) . . . . ?
C1 N1 C14 C13 -175.8(5) . . . . ?
Rh1 N1 C14 C13 2.0(10) . . . . ?
C1 N1 C14 C9 -1.1(5) . . . . ?
Rh1 N1 C14 C9 176.7(5) . . . . ?
N4 C9 C14 C13 176.8(5) . . . . ?
C10 C9 C14 C13 -0.7(8) . . . . ?
N4 C9 C14 N1 1.5(6) . . . . ?
C10 C9 C14 N1 -176.1(5) . . . . ?
C19 N5 C15 C16 0.3(7) . . . . ?
Rh1 N5 C15 C16 -174.1(4) . . . . ?
N5 C15 C16 C17 -1.0(7) . . . . ?
C15 C16 C17 C18 1.3(7) . . . . ?
C15 C16 C17 C20 179.3(4) . . . . ?
C16 C17 C18 C19 -0.9(7) . . . . ?
C20 C17 C18 C19 -179.0(5) . . . . ?
C15 N5 C19 C18 0.0(7) . . . . ?
Rh1 N5 C19 C18 174.8(4) . . . . ?
C17 C18 C19 N5 0.3(8) . . . . ?
C21 N6 C20 C17 83.7(6) . . . . ?
C28 N6 C20 C17 -105.0(6) . . . . ?
C16 C17 C20 N6 126.0(5) . . . . ?
C18 C17 C20 N6 -56.0(6) . . . . ?
C28 N6 C21 O1 -177.2(5) . . . . ?
C20 N6 C21 O1 -5.0(9) . . . . ?
C28 N6 C21 C22 3.0(6) . . . . ?
C20 N6 C21 C22 175.1(5) . . . . ?
O1 C21 C22 C23 -2.3(10) . . . . ?
N6 C21 C22 C23 177.6(5) . . . . ?
O1 C21 C22 C27 177.9(6) . . . . ?
N6 C21 C22 C27 -2.3(6) . . . . ?
C27 C22 C23 C24 0.8(8) . . . . ?
C21 C22 C23 C24 -179.1(5) . . . . ?
C22 C23 C24 C25 -1.2(8) . . . . ?
C22 C23 C24 C32 178.2(5) . . . . ?
C23 C24 C25 C26 0.4(9) . . . . ?
C32 C24 C25 C26 -179.0(6) . . . . ?
C24 C25 C26 C27 0.8(9) . . . . ?
C23 C22 C27 C26 0.5(9) . . . . ?
C21 C22 C27 C26 -179.6(5) . . . . ?
C23 C22 C27 C28 -179.1(5) . . . . ?
C21 C22 C27 C28 0.8(6) . . . . ?
C25 C26 C27 C22 -1.3(9) . . . . ?
C25 C26 C27 C28 178.2(6) . . . . ?
C21 N6 C28 O2 178.2(6) . . . . ?
C20 N6 C28 O2 5.8(9) . . . . ?
C21 N6 C28 C27 -2.5(6) . . . . ?
C20 N6 C28 C27 -174.9(4) . . . . ?
C22 C27 C28 O2 -179.8(6) . . . . ?
C26 C27 C28 O2 0.6(11) . . . . ?
C22 C27 C28 N6 1.0(6) . . . . ?
C26 C27 C28 N6 -178.6(6) . . . . ?
C36 N7 C29 O3 176.4(6) . . . . ?
C37 N7 C29 O3 -1.5(9) . . . . ?
C36 N7 C29 C30 -2.0(7) . . . . ?
C37 N7 C29 C30 -180.0(5) . . . . ?
O3 C29 C30 C35 -175.4(6) . . . . ?
N7 C29 C30 C35 3.0(6) . . . . ?
O3 C29 C30 C31 5.6(10) . . . . ?
N7 C29 C30 C31 -176.1(6) . . . . ?
C35 C30 C31 C32 0.5(9) . . . . ?
C29 C30 C31 C32 179.4(6) . . . . ?
C30 C31 C32 C33 0.7(9) . . . . ?
C30 C31 C32 C24 -177.4(5) . . . . ?
C25 C24 C32 C31 40.5(8) . . . . ?
C23 C24 C32 C31 -139.0(6) . . . . ?
C25 C24 C32 C33 -137.7(6) . . . . ?
C23 C24 C32 C33 42.8(8) . . . . ?
C31 C32 C33 C34 -1.7(10) . . . . ?
C24 C32 C33 C34 176.5(6) . . . . ?
C32 C33 C34 C35 1.4(11) . . . . ?
C31 C30 C35 C34 -0.8(10) . . . . ?
C29 C30 C35 C34 -180.0(6) . . . . ?
C31 C30 C35 C36 176.4(6) . . . . ?
C29 C30 C35 C36 -2.8(7) . . . . ?
C33 C34 C35 C30 -0.1(11) . . . . ?
C33 C34 C35 C36 -176.7(7) . . . . ?
C29 N7 C36 O4 179.7(7) . . . . ?
C37 N7 C36 O4 -2.3(12) . . . . ?
C29 N7 C36 C35 0.4(7) . . . . ?
C37 N7 C36 C35 178.4(5) . . . . ?
C30 C35 C36 O4 -177.7(8) . . . . ?
C34 C35 C36 O4 -0.8(14) . . . . ?
C30 C35 C36 N7 1.6(8) . . . . ?
C34 C35 C36 N7 178.5(7) . . . . ?
C29 N7 C37 C40 -84.4(7) . . . . ?
C36 N7 C37 C40 97.8(7) . . . . ?
C42 N8 C38 C39 -3.0(7) . . . . ?
Rh2 N8 C38 C39 162.0(4) 2_666 . . . ?
N8 C38 C39 C40 -0.1(8) . . . . ?
C38 C39 C40 C41 2.6(8) . . . . ?
C38 C39 C40 C37 -178.9(5) . . . . ?
N7 C37 C40 C39 31.9(8) . . . . ?
N7 C37 C40 C41 -149.6(5) . . . . ?
C39 C40 C41 C42 -1.9(8) . . . . ?
C37 C40 C41 C42 179.5(5) . . . . ?
C38 N8 C42 C41 3.7(8) . . . . ?
Rh2 N8 C42 C41 -161.1(4) 2_666 . . . ?
C40 C41 C42 N8 -1.3(8) . . . . ?
C47 C43 C44 C45 -3.8(6) . . . . ?
C48 C43 C44 C45 178.4(5) . . . . ?
Rh1 C43 C44 C45 58.8(3) . . . . ?
C47 C43 C44 C49 176.8(5) . . . . ?
C48 C43 C44 C49 -1.0(8) . . . . ?
Rh1 C43 C44 C49 -120.6(5) . . . . ?
C47 C43 C44 Rh1 -62.6(3) . . . . ?
C48 C43 C44 Rh1 119.6(6) . . . . ?
C43 C44 C45 C46 3.9(6) . . . . ?
C49 C44 C45 C46 -176.8(5) . . . . ?
Rh1 C44 C45 C46 62.6(3) . . . . ?
C43 C44 C45 C50 177.9(5) . . . . ?
C49 C44 C45 C50 -2.7(9) . . . . ?
Rh1 C44 C45 C50 -123.4(6) . . . . ?
C43 C44 C45 Rh1 -58.7(4) . . . . ?
C49 C44 C45 Rh1 120.7(5) . . . . ?
C44 C45 C46 C47 -2.5(6) . . . . ?
C50 C45 C46 C47 -176.7(5) . . . . ?
Rh1 C45 C46 C47 60.2(4) . . . . ?
C44 C45 C46 C51 176.5(5) . . . . ?
C50 C45 C46 C51 2.3(9) . . . . ?
Rh1 C45 C46 C51 -120.8(6) . . . . ?
C44 C45 C46 Rh1 -62.7(3) . . . . ?
C50 C45 C46 Rh1 123.1(6) . . . . ?
C45 C46 C47 C43 0.1(6) . . . . ?
C51 C46 C47 C43 -178.8(5) . . . . ?
Rh1 C46 C47 C43 59.8(4) . . . . ?
C45 C46 C47 C52 178.7(5) . . . . ?
C51 C46 C47 C52 -0.2(9) . . . . ?
Rh1 C46 C47 C52 -121.7(6) . . . . ?
C45 C46 C47 Rh1 -59.6(4) . . . . ?
C51 C46 C47 Rh1 121.4(6) . . . . ?
C44 C43 C47 C46 2.2(6) . . . . ?
C48 C43 C47 C46 -180.0(5) . . . . ?
Rh1 C43 C47 C46 -60.8(4) . . . . ?
C44 C43 C47 C52 -176.4(5) . . . . ?
C48 C43 C47 C52 1.4(9) . . . . ?
Rh1 C43 C47 C52 120.6(6) . . . . ?
C44 C43 C47 Rh1 63.1(3) . . . . ?
C48 C43 C47 Rh1 -119.1(6) . . . . ?
C57 C53 C54 C55 -1.7(6) . . . . ?
C58 C53 C54 C55 -176.5(5) . . . . ?
Rh2 C53 C54 C55 59.1(4) . . . . ?
C57 C53 C54 C59 179.0(5) . . . . ?
C58 C53 C54 C59 4.2(9) . . . . ?
Rh2 C53 C54 C59 -120.3(6) . . . . ?
C57 C53 C54 Rh2 -60.7(4) . . . . ?
C58 C53 C54 Rh2 124.5(6) . . . . ?
C53 C54 C55 C56 3.1(6) . . . . ?
C59 C54 C55 C56 -177.5(5) . . . . ?
Rh2 C54 C55 C56 63.1(4) . . . . ?
C53 C54 C55 C60 176.2(6) . . . . ?
C59 C54 C55 C60 -4.4(9) . . . . ?
Rh2 C54 C55 C60 -123.8(6) . . . . ?
C53 C54 C55 Rh2 -60.0(4) . . . . ?
C59 C54 C55 Rh2 119.4(6) . . . . ?
C54 C55 C56 C57 -3.4(6) . . . . ?
C60 C55 C56 C57 -176.6(5) . . . . ?
Rh2 C55 C56 C57 59.8(4) . . . . ?
C54 C55 C56 C61 175.8(5) . . . . ?
C60 C55 C56 C61 2.6(9) . . . . ?
Rh2 C55 C56 C61 -121.1(6) . . . . ?
C54 C55 C56 Rh2 -63.1(4) . . . . ?
C60 C55 C56 Rh2 123.7(6) . . . . ?
C55 C56 C57 C53 2.4(6) . . . . ?
C61 C56 C57 C53 -176.8(5) . . . . ?
Rh2 C56 C57 C53 61.5(4) . . . . ?
C55 C56 C57 C62 179.0(6) . . . . ?
C61 C56 C57 C62 -0.1(10) . . . . ?
Rh2 C56 C57 C62 -121.9(6) . . . . ?
C55 C56 C57 Rh2 -59.1(4) . . . . ?
C61 C56 C57 Rh2 121.8(6) . . . . ?
C54 C53 C57 C56 -0.4(6) . . . . ?
C58 C53 C57 C56 174.4(5) . . . . ?
Rh2 C53 C57 C56 -61.8(4) . . . . ?
C54 C53 C57 C62 -177.1(6) . . . . ?
C58 C53 C57 C62 -2.2(9) . . . . ?
Rh2 C53 C57 C62 121.5(6) . . . . ?
C54 C53 C57 Rh2 61.3(4) . . . . ?
C58 C53 C57 Rh2 -123.8(6) . . . . ?
C76 N9 C63 N12 1.0(7) . . . . ?
Rh3 N9 C63 N12 177.9(5) . . . . ?
C76 N9 C63 C64 174.1(6) . . . . ?
Rh3 N9 C63 C64 -9.0(7) . . . . ?
C71 N12 C63 N9 -1.2(7) . . . . ?
Rh4 N12 C63 N9 177.8(5) . . . . ?
C71 N12 C63 C64 -174.5(6) . . . . ?
Rh4 N12 C63 C64 4.6(7) . . . . ?
C65 N10 C64 N11 0.9(8) . . . . ?
Rh3 N10 C64 N11 178.4(4) . . . . ?
C65 N10 C64 C63 -170.0(6) . . . . ?
Rh3 N10 C64 C63 7.5(7) . . . . ?
C70 N11 C64 N10 -0.5(8) . . . . ?
Rh4 N11 C64 N10 179.8(5) . . . . ?
C70 N11 C64 C63 170.3(6) . . . . ?
Rh4 N11 C64 C63 -9.4(7) . . . . ?
N9 C63 C64 N10 1.2(10) . . . . ?
N12 C63 C64 N10 174.3(6) . . . . ?
N9 C63 C64 N11 -169.4(6) . . . . ?
N12 C63 C64 N11 3.6(9) . . . . ?
C64 N10 C65 C66 176.9(7) . . . . ?
Rh3 N10 C65 C66 1.3(14) . . . . ?
C64 N10 C65 C70 -0.8(7) . . . . ?
Rh3 N10 C65 C70 -176.4(6) . . . . ?
N10 C65 C66 C67 -177.1(7) . . . . ?
C70 C65 C66 C67 0.3(11) . . . . ?
C65 C66 C67 C68 1.8(12) . . . . ?
C66 C67 C68 C69 -2.2(14) . . . . ?
C67 C68 C69 C70 0.3(13) . . . . ?
C68 C69 C70 N11 175.9(7) . . . . ?
C68 C69 C70 C65 1.8(11) . . . . ?
C64 N11 C70 C69 -174.7(7) . . . . ?
Rh4 N11 C70 C69 4.8(14) . . . . ?
C64 N11 C70 C65 0.0(7) . . . . ?
Rh4 N11 C70 C65 179.4(6) . . . . ?
N10 C65 C70 C69 175.8(6) . . . . ?
C66 C65 C70 C69 -2.2(11) . . . . ?
N10 C65 C70 N11 0.5(7) . . . . ?
C66 C65 C70 N11 -177.5(6) . . . . ?
C63 N12 C71 C72 -177.8(7) . . . . ?
Rh4 N12 C71 C72 3.9(12) . . . . ?
C63 N12 C71 C76 0.9(6) . . . . ?
Rh4 N12 C71 C76 -177.4(6) . . . . ?
N12 C71 C72 C73 178.4(6) . . . . ?
C76 C71 C72 C73 -0.2(9) . . . . ?
C71 C72 C73 C74 1.0(9) . . . . ?
C72 C73 C74 C75 -0.3(10) . . . . ?
C73 C74 C75 C76 -1.2(9) . . . . ?
C74 C75 C76 N9 -177.8(6) . . . . ?
C74 C75 C76 C71 2.0(9) . . . . ?
C63 N9 C76 C75 179.5(7) . . . . ?
Rh3 N9 C76 C75 5.1(13) . . . . ?
C63 N9 C76 C71 -0.3(7) . . . . ?
Rh3 N9 C76 C71 -174.6(6) . . . . ?
N12 C71 C76 C75 179.8(5) . . . . ?
C72 C71 C76 C75 -1.3(9) . . . . ?
N12 C71 C76 N9 -0.4(7) . . . . ?
C72 C71 C76 N9 178.5(5) . . . . ?
C81 N13 C77 C78 -1.7(9) . . . . ?
Rh3 N13 C77 C78 178.8(4) . . . . ?
N13 C77 C78 C79 1.8(9) . . . . ?
C77 C78 C79 C80 -1.3(9) . . . . ?
C77 C78 C79 C82 174.7(6) . . . . ?
C78 C79 C80 C81 0.9(10) . . . . ?
C82 C79 C80 C81 -175.2(7) . . . . ?
C79 C80 C81 N13 -1.0(12) . . . . ?
C77 N13 C81 C80 1.3(11) . . . . ?
Rh3 N13 C81 C80 -179.2(6) . . . . ?
C90 N14 C82 C79 88.1(7) . . . . ?
C83 N14 C82 C79 -86.9(7) . . . . ?
C78 C79 C82 N14 22.2(8) . . . . ?
C80 C79 C82 N14 -161.9(6) . . . . ?
C90 N14 C83 O5 -177.4(6) . . . . ?
C82 N14 C83 O5 -2.0(9) . . . . ?
C90 N14 C83 C84 2.0(7) . . . . ?
C82 N14 C83 C84 177.4(5) . . . . ?
O5 C83 C84 C85 2.6(11) . . . . ?
N14 C83 C84 C85 -176.8(6) . . . . ?
O5 C83 C84 C89 179.0(6) . . . . ?
N14 C83 C84 C89 -0.3(6) . . . . ?
C89 C84 C85 C86 0.2(8) . . . . ?
C83 C84 C85 C86 176.2(5) . . . . ?
C84 C85 C86 C87 1.2(8) . . . . ?
C84 C85 C86 C94 -174.8(5) . . . . ?
C85 C86 C87 C88 -0.4(9) . . . . ?
C94 C86 C87 C88 175.6(6) . . . . ?
C86 C87 C88 C89 -1.9(11) . . . . ?
C87 C88 C89 C84 3.3(11) . . . . ?
C87 C88 C89 C90 -174.1(7) . . . . ?
C85 C84 C89 C88 -2.6(10) . . . . ?
C83 C84 C89 C88 -179.3(6) . . . . ?
C85 C84 C89 C90 175.3(6) . . . . ?
C83 C84 C89 C90 -1.4(7) . . . . ?
C83 N14 C90 O6 177.8(8) . . . . ?
C82 N14 C90 O6 2.3(12) . . . . ?
C83 N14 C90 C89 -2.8(7) . . . . ?
C82 N14 C90 C89 -178.3(6) . . . . ?
C88 C89 C90 O6 -0.4(14) . . . . ?
C84 C89 C90 O6 -178.1(9) . . . . ?
C88 C89 C90 N14 -179.8(7) . . . . ?
C84 C89 C90 N14 2.6(8) . . . . ?
C98 N15 C91 O7 178.2(6) . . . . ?
C99 N15 C91 O7 -3.1(9) . . . . ?
C98 N15 C91 C92 -0.2(6) . . . . ?
C99 N15 C91 C92 178.5(5) . . . . ?
O7 C91 C92 C93 -0.6(10) . . . . ?
N15 C91 C92 C93 177.7(5) . . . . ?
O7 C91 C92 C97 -178.5(6) . . . . ?
N15 C91 C92 C97 -0.2(6) . . . . ?
C97 C92 C93 C94 -1.2(8) . . . . ?
C91 C92 C93 C94 -178.8(5) . . . . ?
C92 C93 C94 C95 0.7(7) . . . . ?
C92 C93 C94 C86 179.2(5) . . . . ?
C87 C86 C94 C95 -32.0(8) . . . . ?
C85 C86 C94 C95 143.9(5) . . . . ?
C87 C86 C94 C93 149.5(6) . . . . ?
C85 C86 C94 C93 -34.5(7) . . . . ?
C93 C94 C95 C96 -0.4(8) . . . . ?
C86 C94 C95 C96 -178.8(5) . . . . ?
C94 C95 C96 C97 0.5(8) . . . . ?
C95 C96 C97 C92 -1.0(8) . . . . ?
C95 C96 C97 C98 177.7(5) . . . . ?
C93 C92 C97 C96 1.4(8) . . . . ?
C91 C92 C97 C96 179.5(5) . . . . ?
C93 C92 C97 C98 -177.5(5) . . . . ?
C91 C92 C97 C98 0.6(6) . . . . ?
C91 N15 C98 O8 -178.9(5) . . . . ?
C99 N15 C98 O8 2.4(9) . . . . ?
C91 N15 C98 C97 0.5(6) . . . . ?
C99 N15 C98 C97 -178.1(5) . . . . ?
C96 C97 C98 O8 0.0(10) . . . . ?
C92 C97 C98 O8 178.8(6) . . . . ?
C96 C97 C98 N15 -179.4(6) . . . . ?
C92 C97 C98 N15 -0.7(6) . . . . ?
C98 N15 C99 C102 104.7(7) . . . . ?
C91 N15 C99 C102 -73.8(7) . . . . ?
C104 N16 C100 C101 0.6(10) . . . . ?
Rh4 N16 C100 C101 -178.8(5) 2_666 . . . ?
N16 C100 C101 C102 1.9(11) . . . . ?
C100 C101 C102 C103 -2.1(11) . . . . ?
C100 C101 C102 C99 176.4(6) . . . . ?
N15 C99 C102 C101 -48.1(8) . . . . ?
N15 C99 C102 C103 130.3(8) . . . . ?
C101 C102 C103 C104 0.0(14) . . . . ?
C99 C102 C103 C104 -178.6(9) . . . . ?
C100 N16 C104 C103 -2.8(14) . . . . ?
Rh4 N16 C104 C103 176.5(9) 2_666 . . . ?
C102 C103 C104 N16 2.6(17) . . . . ?
C109 C105 C106 C107 0.0 . . . . ?
C110 C105 C106 C107 180.0 . . . . ?
Rh3 C105 C106 C107 62.03(19) . . . . ?
C109 C105 C106 C111 180.0 . . . . ?
C110 C105 C106 C111 0.0 . . . . ?
Rh3 C105 C106 C111 -117.97(19) . . . . ?
C109 C105 C106 Rh3 -62.03(19) . . . . ?
C110 C105 C106 Rh3 117.97(19) . . . . ?
C105 C106 C107 C108 0.0 . . . . ?
C111 C106 C107 C108 180.0 . . . . ?
Rh3 C106 C107 C108 59.2(2) . . . . ?
C105 C106 C107 C112 180.0 . . . . ?
C111 C106 C107 C112 0.0 . . . . ?
Rh3 C106 C107 C112 -120.8(2) . . . . ?
C105 C106 C107 Rh3 -59.2(2) . . . . ?
C111 C106 C107 Rh3 120.8(2) . . . . ?
C106 C107 C108 C109 0.0 . . . . ?
C112 C107 C108 C109 180.0 . . . . ?
Rh3 C107 C108 C109 60.1(2) . . . . ?
C106 C107 C108 C113 180.0 . . . . ?
C112 C107 C108 C113 0.0 . . . . ?
Rh3 C107 C108 C113 -119.9(2) . . . . ?
C106 C107 C108 Rh3 -60.1(2) . . . . ?
C112 C107 C108 Rh3 119.9(2) . . . . ?
C106 C105 C109 C108 0.0 . . . . ?
C110 C105 C109 C108 180.0 . . . . ?
Rh3 C105 C109 C108 -64.8(3) . . . . ?
C106 C105 C109 C114 180.0 . . . . ?
C110 C105 C109 C114 0.0 . . . . ?
Rh3 C105 C109 C114 115.2(3) . . . . ?
C106 C105 C109 Rh3 64.8(3) . . . . ?
C110 C105 C109 Rh3 -115.2(3) . . . . ?
C107 C108 C109 C105 0.0 . . . . ?
C113 C108 C109 C105 180.0 . . . . ?
Rh3 C108 C109 C105 63.61(17) . . . . ?
C107 C108 C109 C114 180.0 . . . . ?
C113 C108 C109 C114 0.0 . . . . ?
Rh3 C108 C109 C114 -116.39(17) . . . . ?
C107 C108 C109 Rh3 -63.61(17) . . . . ?
C113 C108 C109 Rh3 116.40(17) . . . . ?
C209 C205 C206 C207 0.0 . . . . ?
C210 C205 C206 C207 180.0 . . . . ?
Rh3 C205 C206 C207 59.28(17) . . . . ?
C209 C205 C206 C211 180.0 . . . . ?
C210 C205 C206 C211 0.0 . . . . ?
Rh3 C205 C206 C211 -120.72(17) . . . . ?
C209 C205 C206 Rh3 -59.28(17) . . . . ?
C210 C205 C206 Rh3 120.72(17) . . . . ?
C205 C206 C207 C208 0.0 . . . . ?
C211 C206 C207 C208 180.0 . . . . ?
Rh3 C206 C207 C208 64.9(3) . . . . ?
C205 C206 C207 C212 180.0 . . . . ?
C211 C206 C207 C212 0.0 . . . . ?
Rh3 C206 C207 C212 -115.1(3) . . . . ?
C205 C206 C207 Rh3 -64.9(3) . . . . ?
C211 C206 C207 Rh3 115.1(3) . . . . ?
C206 C207 C208 C209 0.0 . . . . ?
C212 C207 C208 C209 180.0 . . . . ?
Rh3 C207 C208 C209 65.6(2) . . . . ?
C206 C207 C208 C213 180.0 . . . . ?
C212 C207 C208 C213 0.0 . . . . ?
Rh3 C207 C208 C213 -114.4(2) . . . . ?
C206 C207 C208 Rh3 -65.6(2) . . . . ?
C212 C207 C208 Rh3 114.4(2) . . . . ?
C206 C205 C209 C208 0.0 . . . . ?
C210 C205 C209 C208 -180.0 . . . . ?
Rh3 C205 C209 C208 -56.7(3) . . . . ?
C206 C205 C209 C214 180.0 . . . . ?
C210 C205 C209 C214 0.0 . . . . ?
Rh3 C205 C209 C214 123.3(3) . . . . ?
C206 C205 C209 Rh3 56.7(3) . . . . ?
C210 C205 C209 Rh3 -123.3(3) . . . . ?
C207 C208 C209 C205 0.0 . . . . ?
C213 C208 C209 C205 180.0 . . . . ?
Rh3 C208 C209 C205 60.3(2) . . . . ?
C207 C208 C209 C214 180.0 . . . . ?
C213 C208 C209 C214 0.0 . . . . ?
Rh3 C208 C209 C214 -119.7(2) . . . . ?
C207 C208 C209 Rh3 -60.3(2) . . . . ?
C213 C208 C209 Rh3 119.7(2) . . . . ?
C119 C115 C116 C117 0.4(7) . . . . ?
C120 C115 C116 C117 -176.3(6) . . . . ?
Rh4 C115 C116 C117 61.7(5) . . . . ?
C119 C115 C116 C121 -178.8(7) . . . . ?
C120 C115 C116 C121 4.5(10) . . . . ?
Rh4 C115 C116 C121 -117.5(7) . . . . ?
C119 C115 C116 Rh4 -61.3(4) . . . . ?
C120 C115 C116 Rh4 122.1(6) . . . . ?
C115 C116 C117 C118 -1.3(8) . . . . ?
C121 C116 C117 C118 177.9(7) . . . . ?
Rh4 C116 C117 C118 58.8(5) . . . . ?
C115 C116 C117 C122 -179.8(8) . . . . ?
C121 C116 C117 C122 -0.5(12) . . . . ?
Rh4 C116 C117 C122 -119.6(9) . . . . ?
C115 C116 C117 Rh4 -60.1(5) . . . . ?
C121 C116 C117 Rh4 119.1(7) . . . . ?
C116 C117 C118 C119 1.7(8) . . . . ?
C122 C117 C118 C119 -179.7(7) . . . . ?
Rh4 C117 C118 C119 61.7(5) . . . . ?
C116 C117 C118 C123 175.1(7) . . . . ?
C122 C117 C118 C123 -6.3(12) . . . . ?
Rh4 C117 C118 C123 -124.8(8) . . . . ?
C116 C117 C118 Rh4 -60.0(5) . . . . ?
C122 C117 C118 Rh4 118.5(8) . . . . ?
C117 C118 C119 C124 178.1(8) . . . . ?
C123 C118 C119 C124 4.5(12) . . . . ?
Rh4 C118 C119 C124 -118.2(9) . . . . ?
C117 C118 C119 C115 -1.4(8) . . . . ?
C123 C118 C119 C115 -175.0(6) . . . . ?
Rh4 C118 C119 C115 62.3(4) . . . . ?
C117 C118 C119 Rh4 -63.7(5) . . . . ?
C123 C118 C119 Rh4 122.7(7) . . . . ?
C116 C115 C119 C124 -178.9(8) . . . . ?
C120 C115 C119 C124 -2.6(12) . . . . ?
Rh4 C115 C119 C124 118.9(9) . . . . ?
C116 C115 C119 C118 0.6(7) . . . . ?
C120 C115 C119 C118 177.0(6) . . . . ?
Rh4 C115 C119 C118 -61.6(5) . . . . ?
C116 C115 C119 Rh4 62.2(4) . . . . ?
C120 C115 C119 Rh4 -121.5(7) . . . . ?
O11 S1 C125 F3 -65.7(8) . . . . ?
O9 S1 C125 F3 54.6(7) . . . . ?
O10 S1 C125 F3 173.6(7) . . . . ?
O11 S1 C125 F1 55.5(7) . . . . ?
O9 S1 C125 F1 175.7(6) . . . . ?
O10 S1 C125 F1 -65.2(7) . . . . ?
O11 S1 C125 F2 174.4(6) . . . . ?
O9 S1 C125 F2 -65.3(6) . . . . ?
O10 S1 C125 F2 53.8(6) . . . . ?
O14 S2 C126 F6 -54.7(11) . . . . ?
O12 S2 C126 F6 63.8(10) . . . . ?
O13 S2 C126 F6 178.0(10) . . . . ?
O14 S2 C126 F4 63.9(10) . . . . ?
O12 S2 C126 F4 -177.6(8) . . . . ?
O13 S2 C126 F4 -63.4(9) . . . . ?
O14 S2 C126 F5 -177.0(8) . . . . ?
O12 S2 C126 F5 -58.5(8) . . . . ?
O13 S2 C126 F5 55.6(9) . . . . ?
O17 S3 C127 F8 -49.4(13) . . . . ?
O16 S3 C127 F8 179.2(11) . . . . ?
O15 S3 C127 F8 62.6(12) . . . . ?
O17 S3 C127 F9 77.0(10) . . . . ?
O16 S3 C127 F9 -54.4(11) . . . . ?
O15 S3 C127 F9 -171.0(9) . . . . ?
O17 S3 C127 F7 -172.1(9) . . . . ?
O16 S3 C127 F7 56.5(11) . . . . ?
O15 S3 C127 F7 -60.1(10) . . . . ?
C133 C129 C130 C131 -2.8(19) 2_676 . . . ?
C129 C130 C131 C136 -175.6(13) . . . . ?
C129 C130 C131 C132 0.5(16) . . . . ?
C136 C131 C132 C133 -2.6(16) . . . . ?
C130 C131 C132 C133 -178.8(9) . . . . ?
C136 C131 C132 C132 176.7(12) . . . 2_676 ?
C130 C131 C132 C132 0.5(15) . . . 2_676 ?
C132 C132 C133 C129 2.9(18) 2_676 . . 2_676 ?
C131 C132 C133 C129 -177.9(10) . . . 2_676 ?
C132 C132 C133 C134 180.0(11) 2_676 . . . ?
C131 C132 C133 C134 -0.7(16) . . . . ?
C129 C133 C134 C135 179.8(13) 2_676 . . . ?
C132 C133 C134 C135 2.7(18) . . . . ?
C133 C134 C135 C136 -2(3) . . . . ?
C134 C135 C136 C131 -1(3) . . . . ?
C132 C131 C136 C135 3(2) . . . . ?
C130 C131 C136 C135 179.4(14) . . . . ?
C150 C137 C138 C139 -3(2) . . . . ?
C137 C138 C139 C140 -176.7(12) . . . . ?
C137 C138 C139 C151 1.7(14) . . . . ?
C151 C139 C140 C141 7.2(18) . . . . ?
C138 C139 C140 C141 -174.5(10) . . . . ?
C139 C140 C141 C142 -8(3) . . . . ?
C140 C141 C142 C143 3(2) . . . . ?
C141 C142 C143 C144 178.4(12) . . . . ?
C141 C142 C143 C151 3.5(18) . . . . ?
C151 C143 C144 C145 -3(2) . . . . ?
C142 C143 C144 C145 -178.5(11) . . . . ?
C143 C144 C145 C146 4(2) . . . . ?
C144 C145 C146 C147 179.2(13) . . . . ?
C144 C145 C146 C152 -2.5(16) . . . . ?
C145 C146 C147 C148 -179.0(11) . . . . ?
C152 C146 C147 C148 2.7(19) . . . . ?
C146 C147 C148 C149 -2(3) . . . . ?
C147 C148 C149 C150 -1(2) . . . . ?
C138 C137 C150 C152 2(2) . . . . ?
C138 C137 C150 C149 -175.1(12) . . . . ?
C148 C149 C150 C137 -179.1(13) . . . . ?
C148 C149 C150 C152 4.5(19) . . . . ?
C144 C143 C151 C152 -0.5(18) . . . . ?
C142 C143 C151 C152 174.4(11) . . . . ?
C144 C143 C151 C139 -178.4(11) . . . . ?
C142 C143 C151 C139 -3.5(18) . . . . ?
C140 C139 C151 C143 -3.1(17) . . . . ?
C138 C139 C151 C143 178.5(9) . . . . ?
C140 C139 C151 C152 178.7(12) . . . . ?
C138 C139 C151 C152 0.3(13) . . . . ?
C137 C150 C152 C151 0.9(18) . . . . ?
C149 C150 C152 C151 177.6(12) . . . . ?
C137 C150 C152 C146 179.3(10) . . . . ?
C149 C150 C152 C146 -4.0(19) . . . . ?
C143 C151 C152 C150 -179.8(12) . . . . ?
C139 C151 C152 C150 -1.8(16) . . . . ?
C143 C151 C152 C146 1.8(15) . . . . ?
C139 C151 C152 C146 179.8(9) . . . . ?
C147 C146 C152 C150 -0.4(17) . . . . ?
C145 C146 C152 C150 -178.8(10) . . . . ?
C147 C146 C152 C151 178.3(12) . . . . ?
C145 C146 C152 C151 -0.1(14) . . . . ?
