#------------------------------------------------------------------------------
#$Date: 2023-03-04 20:24:18 +0200 (Sat, 04 Mar 2023) $
#$Revision: 281473 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/59/7245935.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_7245935
loop_
_publ_author_name
'Qian, Chun'
'Zheng, Qingshu'
'Chen, Jie'
'Tu, Bo'
'Tu, Tao'
_publ_section_title
;
 Coordination assembly enables highly selective catalytic
 hydroaminomethylation of olefins
;
_journal_issue                   4
_journal_name_full               'Green Chemistry'
_journal_page_first              1368
_journal_page_last               1379
_journal_paper_doi               10.1039/D2GC04195B
_journal_volume                  25
_journal_year                    2023
_chemical_formula_sum            'C127 H147 B2 Cl9 F8 N8 Rh2'
_chemical_formula_weight         2484.01
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2022-05-04 deposited with the CCDC.	2022-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 93.157(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.1914(9)
_cell_length_b                   15.8408(9)
_cell_length_c                   55.703(3)
_cell_measurement_reflns_used    9620
_cell_measurement_temperature    175(2)
_cell_measurement_theta_max      56.88
_cell_measurement_theta_min      3.72
_cell_volume                     13384.2(13)
_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      175(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.985
_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  0.0653
_diffrn_reflns_av_unetI/netI     0.0445
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       69
_diffrn_reflns_limit_l_min       -69
_diffrn_reflns_number            148292
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        53.594
_diffrn_reflns_theta_max         56.500
_diffrn_reflns_theta_min         3.510
_exptl_absorpt_coefficient_mu    2.755
_exptl_absorpt_correction_T_max  0.751
_exptl_absorpt_correction_T_min  0.454
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.233
_exptl_crystal_description       block
_exptl_crystal_F_000             5160
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.428
_refine_diff_density_min         -2.474
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1482
_refine_ls_number_reflns         26519
_refine_ls_number_restraints     308
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1326
_refine_ls_R_factor_gt           0.1248
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0750P)²+137.7965P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3036
_refine_ls_wR_factor_ref         0.3069
_reflns_Friedel_coverage         0.000
_reflns_number_gt                22839
_reflns_number_total             26519
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2gc04195b2.cif
_cod_data_source_block           platon_sq
_cod_depositor_comments
'Adding full bibliography for 7245933--7245935.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7245935
_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   0.546
_shelx_estimated_absorpt_t_max   0.637
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.51223(5) 0.53546(4) 0.74232(2) 0.04788(18) Uani 1 1 d . . . . .
Rh2 Rh 0.44715(5) 0.08069(4) 0.55571(2) 0.04993(18) Uani 1 1 d . . . . .
B1 B 0.8020(14) 0.0212(13) 0.5441(4) 0.132(7) Uani 1 1 d D U . . .
F1 F 0.8201(10) 0.0864(10) 0.5289(3) 0.219(6) Uani 1 1 d D U . . .
F2 F 0.7512(9) 0.0599(11) 0.5607(2) 0.208(6) Uani 1 1 d D U . . .
F3 F 0.7363(10) -0.0271(11) 0.5339(3) 0.238(7) Uani 1 1 d D U . . .
F4 F 0.8685(8) -0.0153(10) 0.5508(3) 0.214(7) Uani 1 1 d . U . . .
B2 B 0.1449(13) 0.3406(18) 0.7397(5) 0.076(6) Uani 0.56(2) 1 d D U P A 1
F5 F 0.162(2) 0.3549(18) 0.7169(4) 0.192(13) Uani 0.56(2) 1 d . U P A 1
F6 F 0.2201(11) 0.2949(12) 0.7475(6) 0.137(9) Uani 0.56(2) 1 d D U P A 1
F7 F 0.1445(11) 0.4114(16) 0.7524(5) 0.137(9) Uani 0.56(2) 1 d . U P A 1
F8 F 0.0761(17) 0.292(2) 0.7419(6) 0.210(14) Uani 0.56(2) 1 d D U P A 1
B2' B 0.1508(16) 0.3605(18) 0.7359(4) 0.094(9) Uani 0.44(2) 1 d D U P A 2
F5' F 0.141(2) 0.347(3) 0.7596(5) 0.175(15) Uani 0.44(2) 1 d D U P A 2
F6' F 0.0751(16) 0.3452(19) 0.7237(6) 0.143(12) Uani 0.44(2) 1 d D U P A 2
F7' F 0.1912(15) 0.4347(15) 0.7345(5) 0.128(10) Uani 0.44(2) 1 d D U P A 2
F8' F 0.209(2) 0.301(2) 0.7313(7) 0.179(15) Uani 0.44(2) 1 d D U P A 2
N1 N 0.4310(4) 0.4310(4) 0.78195(11) 0.0445(15) Uani 1 1 d . . . . .
N2 N 0.5711(4) 0.4490(4) 0.78992(11) 0.0440(15) Uani 1 1 d . . . . .
N3 N 0.5981(4) 0.3806(4) 0.71933(11) 0.0449(15) Uani 1 1 d . . . . .
N4 N 0.4582(5) 0.3919(4) 0.70807(12) 0.0468(15) Uani 1 1 d . . . . .
N5 N 0.4940(4) 0.2270(4) 0.59012(12) 0.0469(15) Uani 1 1 d . . . . .
N6 N 0.3553(5) 0.2298(5) 0.57932(13) 0.0556(18) Uani 1 1 d . . . . .
N7 N 0.4011(5) 0.1783(5) 0.50917(13) 0.0586(19) Uani 1 1 d . . . . .
N8 N 0.5428(6) 0.1837(5) 0.51840(14) 0.065(2) Uani 1 1 d . . . . .
C1 C 0.5034(6) 0.4671(5) 0.77358(14) 0.0498(19) Uani 1 1 d . . . . .
C2 C 0.5398(5) 0.4018(5) 0.80899(14) 0.0435(17) Uani 1 1 d . . . . .
C3 C 0.5865(5) 0.3680(5) 0.83015(14) 0.0470(18) Uani 1 1 d . . . . .
C4 C 0.6782(6) 0.3711(6) 0.83515(15) 0.052(2) Uani 1 1 d . . . . .
H4 H 0.714011 0.397286 0.823829 0.063 Uiso 1 1 calc R U . . .
C5 C 0.7189(5) 0.3372(6) 0.85617(16) 0.052(2) Uani 1 1 d . . . . .
C6 C 0.6643(6) 0.2989(6) 0.87215(15) 0.054(2) Uani 1 1 d . . . . .
H6 H 0.689800 0.275827 0.886664 0.064 Uiso 1 1 calc R U . . .
C7 C 0.5734(5) 0.2930(5) 0.86764(14) 0.0460(18) Uani 1 1 d . . . . .
C8 C 0.5195(6) 0.2523(6) 0.88473(15) 0.054(2) Uani 1 1 d . . . . .
H8 H 0.546009 0.232763 0.899538 0.064 Uiso 1 1 calc R U . . .
C9 C 0.4336(6) 0.2417(6) 0.88020(16) 0.056(2) Uani 1 1 d . . . . .
H9 H 0.400131 0.213162 0.891618 0.067 Uiso 1 1 calc R U . . .
C10 C 0.3900(5) 0.2725(5) 0.85829(15) 0.0483(19) Uani 1 1 d . . . . .
C11 C 0.3000(6) 0.2605(6) 0.85315(16) 0.055(2) Uani 1 1 d . . . . .
H11 H 0.266911 0.232703 0.864779 0.066 Uiso 1 1 calc R U . . .
C12 C 0.2563(6) 0.2870(6) 0.83200(16) 0.051(2) Uani 1 1 d . . . . .
C13 C 0.3062(5) 0.3304(5) 0.81568(15) 0.0481(18) Uani 1 1 d . . . . .
H13 H 0.277820 0.350006 0.801105 0.058 Uiso 1 1 calc R U . . .
C14 C 0.3946(5) 0.3458(5) 0.81988(14) 0.0446(17) Uani 1 1 d . . . . .
C15 C 0.4510(5) 0.3913(5) 0.80400(13) 0.0428(17) Uani 1 1 d . . . . .
C16 C 0.5321(5) 0.3266(5) 0.84667(14) 0.0433(17) Uani 1 1 d . . . . .
C17 C 0.4392(5) 0.3162(5) 0.84138(14) 0.0417(16) Uani 1 1 d . . . . .
C18 C 0.8171(6) 0.3383(7) 0.86107(18) 0.066(3) Uani 1 1 d . . . . .
C19 C 0.8407(9) 0.3905(11) 0.8847(3) 0.111(5) Uani 1 1 d . . . . .
H19A H 0.799908 0.375382 0.897025 0.167 Uiso 1 1 calc R U . . .
H19B H 0.835613 0.450945 0.881157 0.167 Uiso 1 1 calc R U . . .
H19C H 0.901200 0.377516 0.890531 0.167 Uiso 1 1 calc R U . . .
C20 C 0.8541(8) 0.2531(10) 0.8656(4) 0.134(7) Uani 1 1 d . . . . .
H20A H 0.820557 0.224426 0.877748 0.201 Uiso 1 1 calc R U . . .
H20B H 0.915931 0.257928 0.871426 0.201 Uiso 1 1 calc R U . . .
H20C H 0.850272 0.220354 0.850652 0.201 Uiso 1 1 calc R U . . .
C21 C 0.8693(8) 0.3827(13) 0.8420(3) 0.126(6) Uani 1 1 d . U . . .
H21A H 0.932092 0.382541 0.847025 0.188 Uiso 1 1 calc R U . . .
H21B H 0.848662 0.441087 0.840110 0.188 Uiso 1 1 calc R U . . .
H21C H 0.860401 0.352925 0.826626 0.188 Uiso 1 1 calc R U . . .
C22 C 0.1590(6) 0.2675(7) 0.82546(18) 0.063(2) Uani 1 1 d . . . . .
C23 C 0.1121(6) 0.2292(9) 0.8466(2) 0.083(3) Uani 1 1 d . . . . .
H23A H 0.108254 0.271439 0.859305 0.124 Uiso 1 1 calc R U . . .
H23B H 0.145384 0.180178 0.852818 0.124 Uiso 1 1 calc R U . . .
H23C H 0.052570 0.211386 0.841038 0.124 Uiso 1 1 calc R U . . .
C24 C 0.1102(7) 0.3463(8) 0.8174(2) 0.089(4) Uani 1 1 d . . . . .
H24A H 0.142528 0.374829 0.805025 0.134 Uiso 1 1 calc R U . . .
H24B H 0.105063 0.384155 0.831189 0.134 Uiso 1 1 calc R U . . .
H24C H 0.051149 0.331091 0.810831 0.134 Uiso 1 1 calc R U . . .
C25 C 0.1538(7) 0.2042(8) 0.8045(2) 0.088(4) Uani 1 1 d . . . . .
H25A H 0.093100 0.183816 0.802001 0.132 Uiso 1 1 calc R U . . .
H25B H 0.193098 0.156475 0.808346 0.132 Uiso 1 1 calc R U . . .
H25C H 0.171847 0.232093 0.789876 0.132 Uiso 1 1 calc R U . . .
C26 C 0.3430(6) 0.4379(6) 0.76964(16) 0.056(2) Uani 1 1 d . . . . .
H26A H 0.346800 0.472041 0.755066 0.084 Uiso 1 1 calc R U . . .
H26B H 0.302443 0.464780 0.780385 0.084 Uiso 1 1 calc R U . . .
H26C H 0.321271 0.381383 0.765284 0.084 Uiso 1 1 calc R U . . .
C27 C 0.6566(6) 0.4885(6) 0.78869(15) 0.059(2) Uani 1 1 d . . . . .
H27A H 0.656561 0.524972 0.774467 0.088 Uiso 1 1 calc R U . . .
H27B H 0.701903 0.444912 0.787582 0.088 Uiso 1 1 calc R U . . .
H27C H 0.669141 0.522525 0.803172 0.088 Uiso 1 1 calc R U . . .
C28 C 0.5250(5) 0.4275(5) 0.72229(13) 0.0425(17) Uani 1 1 d . . . . .
C29 C 0.4914(6) 0.3209(5) 0.69676(13) 0.0449(18) Uani 1 1 d . . . . .
C30 C 0.4444(6) 0.2590(5) 0.68151(13) 0.0457(18) Uani 1 1 d . . . . .
C31 C 0.3547(6) 0.2588(6) 0.67569(15) 0.0499(19) Uani 1 1 d . . . . .
H31 H 0.319646 0.303755 0.681199 0.060 Uiso 1 1 calc R U . . .
C32 C 0.3144(6) 0.1950(6) 0.66203(15) 0.055(2) Uani 1 1 d . . . . .
C33 C 0.3624(6) 0.1314(6) 0.65360(15) 0.056(2) Uani 1 1 d . . . . .
H33 H 0.334555 0.088731 0.643911 0.067 Uiso 1 1 calc R U . . .
C34 C 0.4530(6) 0.1278(5) 0.65902(13) 0.051(2) Uani 1 1 d . . . . .
C35 C 0.5069(6) 0.0591(5) 0.65089(15) 0.055(2) Uani 1 1 d D . . . .
H35 H 0.479896 0.016396 0.641024 0.066 Uiso 1 1 calc R U . . .
C36 C 0.5946(7) 0.0535(6) 0.65688(16) 0.059(2) Uani 1 1 d D . . . .
H36 H 0.627342 0.007532 0.651008 0.071 Uiso 1 1 calc R U . . .
C37 C 0.6386(6) 0.1158(5) 0.67193(15) 0.052(2) Uani 1 1 d . . . . .
C38 C 0.7269(7) 0.1087(6) 0.67868(17) 0.061(2) Uani 1 1 d . . . . .
H38 H 0.758783 0.062032 0.672893 0.073 Uiso 1 1 calc R U . . .
C39 C 0.7713(6) 0.1668(6) 0.69356(17) 0.060(2) Uani 1 1 d . . . . .
C40 C 0.7213(6) 0.2353(5) 0.70191(15) 0.0505(19) Uani 1 1 d . . . . .
H40 H 0.749652 0.275401 0.712374 0.061 Uiso 1 1 calc R U . . .
C41 C 0.6322(5) 0.2460(5) 0.69537(14) 0.0449(17) Uani 1 1 d . . . . .
C42 C 0.5773(5) 0.3136(5) 0.70333(13) 0.0441(17) Uani 1 1 d . . . . .
C43 C 0.4974(6) 0.1923(5) 0.67349(13) 0.0455(18) Uani 1 1 d . . . . .
C44 C 0.5887(6) 0.1863(5) 0.68008(13) 0.0451(18) Uani 1 1 d . . . . .
C45 C 0.2126(6) 0.1942(7) 0.65765(17) 0.063(2) Uani 1 1 d . . . . .
C46 C 0.1868(9) 0.1658(8) 0.6314(2) 0.094(4) Uani 1 1 d . . . . .
H46A H 0.206550 0.208410 0.620113 0.141 Uiso 1 1 calc R U . . .
H46B H 0.122640 0.159642 0.629387 0.141 Uiso 1 1 calc R U . . .
H46C H 0.215006 0.111670 0.628193 0.141 Uiso 1 1 calc R U . . .
C47 C 0.1729(8) 0.1362(10) 0.6761(3) 0.115(6) Uani 1 1 d . U . . .
H47A H 0.196133 0.078894 0.674382 0.173 Uiso 1 1 calc R U . . .
H47B H 0.108618 0.135305 0.673444 0.173 Uiso 1 1 calc R U . . .
H47C H 0.188535 0.157061 0.692351 0.173 Uiso 1 1 calc R U . . .
C48 C 0.1682(8) 0.2823(9) 0.6605(2) 0.090(4) Uani 1 1 d . . . . .
H48A H 0.178415 0.302016 0.677075 0.135 Uiso 1 1 calc R U . . .
H48B H 0.104706 0.277435 0.656637 0.135 Uiso 1 1 calc R U . . .
H48C H 0.193728 0.322724 0.649496 0.135 Uiso 1 1 calc R U . . .
C49 C 0.8686(7) 0.1604(7) 0.7014(2) 0.069(3) Uani 1 1 d . . . . .
C50 C 0.9141(8) 0.0807(9) 0.6914(3) 0.109(5) Uani 1 1 d . . . . .
H50A H 0.882838 0.030007 0.696315 0.164 Uiso 1 1 calc R U . . .
H50B H 0.975470 0.078366 0.697809 0.164 Uiso 1 1 calc R U . . .
H50C H 0.912720 0.083654 0.673820 0.164 Uiso 1 1 calc R U . . .
C51 C 0.9189(9) 0.2339(9) 0.6916(3) 0.111(5) Uani 1 1 d . . . . .
H51A H 0.912519 0.233465 0.673950 0.167 Uiso 1 1 calc R U . . .
H51B H 0.981378 0.229032 0.696714 0.167 Uiso 1 1 calc R U . . .
H51C H 0.895263 0.286885 0.697618 0.167 Uiso 1 1 calc R U . . .
C52 C 0.8847(10) 0.1582(14) 0.7286(3) 0.142(7) Uani 1 1 d . . . . .
H52A H 0.857046 0.207523 0.735682 0.213 Uiso 1 1 calc R U . . .
H52B H 0.948288 0.159159 0.732703 0.213 Uiso 1 1 calc R U . . .
H52C H 0.859193 0.106552 0.734968 0.213 Uiso 1 1 calc R U . . .
C53 C 0.6810(6) 0.4003(6) 0.73159(16) 0.056(2) Uani 1 1 d . . . . .
H53A H 0.675033 0.451951 0.741043 0.084 Uiso 1 1 calc R U . . .
H53B H 0.725703 0.408773 0.719798 0.084 Uiso 1 1 calc R U . . .
H53C H 0.698894 0.353596 0.742328 0.084 Uiso 1 1 calc R U . . .
C54 C 0.3698(6) 0.4273(6) 0.70530(17) 0.058(2) Uani 1 1 d . . . . .
H54A H 0.367887 0.480864 0.714042 0.087 Uiso 1 1 calc R U . . .
H54B H 0.327582 0.387683 0.711776 0.087 Uiso 1 1 calc R U . . .
H54C H 0.354420 0.437087 0.688209 0.087 Uiso 1 1 calc R U . . .
C55 C 0.4312(6) 0.1877(6) 0.57640(15) 0.052(2) Uani 1 1 d . . . . .
C56 C 0.3712(6) 0.2994(6) 0.59436(15) 0.051(2) Uani 1 1 d . . . . .
C57 C 0.3135(6) 0.3655(7) 0.60178(16) 0.061(3) Uani 1 1 d . . . . .
C58 C 0.2220(7) 0.3706(8) 0.59514(18) 0.071(3) Uani 1 1 d . . . . .
H58 H 0.195818 0.327655 0.585223 0.086 Uiso 1 1 calc R U . . .
C59 C 0.1694(7) 0.4365(9) 0.6027(2) 0.078(3) Uani 1 1 d . . . . .
C60 C 0.2100(8) 0.4995(8) 0.6162(2) 0.081(4) Uani 1 1 d . . . . .
H60 H 0.175355 0.545763 0.621071 0.097 Uiso 1 1 calc R U . . .
C61 C 0.3007(7) 0.4986(7) 0.62331(18) 0.068(3) Uani 1 1 d . . . . .
C62 C 0.3396(8) 0.5644(7) 0.63706(19) 0.077(3) Uani 1 1 d D . . . .
H62 H 0.304313 0.610507 0.641697 0.093 Uiso 1 1 calc R U . . .
C63 C 0.4266(8) 0.5630(6) 0.64381(18) 0.070(3) Uani 1 1 d D . . . .
H63 H 0.450995 0.608297 0.653186 0.085 Uiso 1 1 calc R U . . .
C64 C 0.4826(7) 0.4959(6) 0.63730(15) 0.056(2) Uani 1 1 d . . . . .
C65 C 0.5738(6) 0.4960(5) 0.64366(16) 0.053(2) Uani 1 1 d . . . . .
H65 H 0.598513 0.542121 0.652625 0.064 Uiso 1 1 calc R U . . .
C66 C 0.6292(7) 0.4298(6) 0.63709(15) 0.057(2) Uani 1 1 d . . . . .
C67 C 0.5903(6) 0.3650(5) 0.62356(15) 0.0510(19) Uani 1 1 d . . . . .
H67 H 0.627034 0.319885 0.618954 0.061 Uiso 1 1 calc R U . . .
C68 C 0.4996(5) 0.3613(5) 0.61614(14) 0.0453(17) Uani 1 1 d . . . . .
C69 C 0.4595(6) 0.2979(5) 0.60123(15) 0.0491(19) Uani 1 1 d . . . . .
C70 C 0.3525(6) 0.4297(6) 0.61618(16) 0.055(2) Uani 1 1 d . . . . .
C71 C 0.4437(6) 0.4281(6) 0.62323(15) 0.053(2) Uani 1 1 d . . . . .
C72 C 0.4957(8) 0.6109(6) 0.70918(17) 0.069(3) Uani 1 1 d . . . . .
H72 H 0.482568 0.576833 0.694308 0.083 Uiso 1 1 calc R U . . .
C73 C 0.5823(7) 0.6118(6) 0.71679(16) 0.058(2) Uani 1 1 d . . . . .
H73 H 0.620706 0.577893 0.706413 0.070 Uiso 1 1 calc R U . . .
C74 C 0.6305(9) 0.6811(7) 0.7302(2) 0.088(4) Uani 1 1 d . . . . .
H74A H 0.641309 0.727682 0.718935 0.105 Uiso 1 1 calc R U . . .
H74B H 0.688588 0.659436 0.736409 0.105 Uiso 1 1 calc R U . . .
C75 C 0.5823(10) 0.7156(7) 0.7510(2) 0.097(4) Uani 1 1 d . . . . .
H75A H 0.626195 0.738815 0.762990 0.117 Uiso 1 1 calc R U . . .
H75B H 0.544603 0.762958 0.745016 0.117 Uiso 1 1 calc R U . . .
C76 C 0.5263(8) 0.6541(6) 0.76319(19) 0.070(3) Uani 1 1 d . . . . .
H76 H 0.542657 0.645942 0.780671 0.084 Uiso 1 1 calc R U . . .
C77 C 0.4391(7) 0.6408(6) 0.7570(2) 0.070(3) Uani 1 1 d . . . . .
H77 H 0.403588 0.624633 0.770833 0.084 Uiso 1 1 calc R U . . .
C78 C 0.3833(13) 0.6792(9) 0.7356(3) 0.131(7) Uani 1 1 d . . . . .
H78A H 0.329044 0.645164 0.732818 0.157 Uiso 1 1 calc R U . . .
H78B H 0.365388 0.737029 0.739926 0.157 Uiso 1 1 calc R U . . .
C79 C 0.4301(10) 0.6829(8) 0.7128(2) 0.096(4) Uani 1 1 d . . . . .
H79A H 0.462263 0.737197 0.712373 0.115 Uiso 1 1 calc R U . . .
H79B H 0.385568 0.682693 0.699174 0.115 Uiso 1 1 calc R U . . .
C80 C 0.0712(8) 0.4365(9) 0.5964(2) 0.096(4) Uani 1 1 d D . . . .
C81 C 0.0532(9) 0.4254(11) 0.5693(3) 0.117(5) Uani 1 1 d . . . . .
H81A H 0.104622 0.444229 0.560834 0.175 Uiso 1 1 calc R U . . .
H81B H 0.001656 0.459109 0.563907 0.175 Uiso 1 1 calc R U . . .
H81C H 0.041684 0.365723 0.565654 0.175 Uiso 1 1 calc R U . . .
C82 C 0.0251(9) 0.3649(12) 0.6084(3) 0.133(7) Uani 1 1 d . U . . .
H82A H 0.058219 0.312531 0.606478 0.199 Uiso 1 1 calc R U . . .
H82B H -0.034605 0.358418 0.601058 0.199 Uiso 1 1 calc R U . . .
H82C H 0.021732 0.377393 0.625588 0.199 Uiso 1 1 calc R U . . .
C83 C 0.0272(10) 0.5178(11) 0.6038(3) 0.138(7) Uani 1 1 d D U . . .
H83A H 0.032835 0.523506 0.621303 0.207 Uiso 1 1 calc R U . . .
H83B H -0.035386 0.516461 0.598454 0.207 Uiso 1 1 calc R U . . .
H83C H 0.055699 0.565940 0.596328 0.207 Uiso 1 1 calc R U . . .
C84 C 0.7256(6) 0.4341(6) 0.64361(16) 0.057(2) Uani 1 1 d . . . . .
C85 C 0.7729(7) 0.3519(7) 0.6391(2) 0.080(3) Uani 1 1 d . . . . .
H85A H 0.744207 0.305898 0.647463 0.119 Uiso 1 1 calc R U . . .
H85B H 0.834545 0.356497 0.645186 0.119 Uiso 1 1 calc R U . . .
H85C H 0.770698 0.340266 0.621826 0.119 Uiso 1 1 calc R U . . .
C86 C 0.7674(8) 0.5042(8) 0.6284(2) 0.083(3) Uani 1 1 d . . . . .
H86A H 0.764471 0.487441 0.611480 0.124 Uiso 1 1 calc R U . . .
H86B H 0.829121 0.512215 0.634034 0.124 Uiso 1 1 calc R U . . .
H86C H 0.734994 0.557078 0.630241 0.124 Uiso 1 1 calc R U . . .
C87 C 0.7401(9) 0.4552(9) 0.67046(19) 0.090(4) Uani 1 1 d . . . . .
H87A H 0.725404 0.514554 0.673106 0.135 Uiso 1 1 calc R U . . .
H87B H 0.801964 0.445202 0.675601 0.135 Uiso 1 1 calc R U . . .
H87C H 0.702196 0.419167 0.679803 0.135 Uiso 1 1 calc R U . . .
C88 C 0.5849(6) 0.1977(6) 0.59272(18) 0.059(2) Uani 1 1 d . . . . .
H88A H 0.599770 0.183883 0.609613 0.088 Uiso 1 1 calc R U . . .
H88B H 0.624384 0.242231 0.587507 0.088 Uiso 1 1 calc R U . . .
H88C H 0.591798 0.147295 0.582802 0.088 Uiso 1 1 calc R U . . .
C89 C 0.2724(6) 0.2034(8) 0.56771(19) 0.076(3) Uani 1 1 d . . . . .
H89A H 0.279412 0.147764 0.560393 0.114 Uiso 1 1 calc R U . . .
H89B H 0.254030 0.244360 0.555214 0.114 Uiso 1 1 calc R U . . .
H89C H 0.227411 0.200364 0.579640 0.114 Uiso 1 1 calc R U . . .
C90 C 0.4664(6) 0.1535(6) 0.52575(15) 0.052(2) Uani 1 1 d . . . . .
C91 C 0.5271(8) 0.2312(6) 0.49745(18) 0.068(3) Uani 1 1 d . . . . .
C92 C 0.5871(10) 0.2773(7) 0.4830(2) 0.088(4) Uani 1 1 d D . . . .
C93 C 0.6781(9) 0.2771(8) 0.4874(2) 0.097(4) Uani 1 1 d D U . . .
H93 H 0.703929 0.247804 0.500881 0.116 Uiso 1 1 calc R U . . .
C94 C 0.7326(13) 0.3212(11) 0.4714(3) 0.125(6) Uani 1 1 d D . . . .
C95 C 0.6933(15) 0.3638(11) 0.4524(3) 0.128(7) Uani 1 1 d . . . . .
H95 H 0.729902 0.392096 0.441699 0.154 Uiso 1 1 calc R U . . .
C96 C 0.6057(13) 0.3678(8) 0.4481(2) 0.101(5) Uani 1 1 d . . . . .
C97 C 0.5612(11) 0.4166(7) 0.42871(19) 0.085(4) Uani 1 1 d . U . . .
H97 H 0.596030 0.450934 0.418975 0.102 Uiso 1 1 calc R U . . .
C98 C 0.4739(11) 0.4152(7) 0.4240(2) 0.089(4) Uani 1 1 d . U . . .
H98 H 0.449326 0.447267 0.410848 0.107 Uiso 1 1 calc R U . . .
C99 C 0.4172(10) 0.3674(8) 0.43801(19) 0.088(4) Uani 1 1 d D U . . .
C100 C 0.3280(10) 0.3600(8) 0.4326(2) 0.097(4) Uani 1 1 d D U . . .
H100 H 0.303708 0.390571 0.419153 0.117 Uiso 1 1 calc R U . . .
C101 C 0.2717(11) 0.3119(10) 0.4452(2) 0.109(5) Uani 1 1 d . . . . .
C102 C 0.3064(11) 0.2666(9) 0.4649(2) 0.095(4) Uani 1 1 d . . . . .
H102 H 0.269051 0.232003 0.473885 0.114 Uiso 1 1 calc R U . . .
C103 C 0.3969(9) 0.2721(7) 0.47158(19) 0.076(3) Uani 1 1 d D . . . .
C104 C 0.4388(9) 0.2275(6) 0.49201(17) 0.071(3) Uani 1 1 d . . . . .
C105 C 0.5445(9) 0.3227(7) 0.46290(19) 0.081(4) Uani 1 1 d D . . . .
C106 C 0.4522(10) 0.3201(7) 0.45792(18) 0.091(4) Uani 1 1 d D U . . .
C107 C 0.8323(15) 0.3090(17) 0.4761(6) 0.210(10) Uani 1 1 d D U . . .
C108 C 0.867(2) 0.2198(18) 0.4750(6) 0.272(14) Uani 1 1 d D U . . .
H10A H 0.928288 0.220905 0.470230 0.408 Uiso 1 1 calc R U . . .
H10B H 0.830911 0.187298 0.463205 0.408 Uiso 1 1 calc R U . . .
H10C H 0.864899 0.193294 0.490860 0.408 Uiso 1 1 calc R U . . .
C109 C 0.886(2) 0.361(2) 0.4624(7) 0.284(15) Uani 1 1 d . U . . .
H10D H 0.869941 0.420499 0.464849 0.426 Uiso 1 1 calc R U . . .
H10E H 0.875969 0.347048 0.445283 0.426 Uiso 1 1 calc R U . . .
H10F H 0.947739 0.352422 0.467364 0.426 Uiso 1 1 calc R U . . .
C110 C 0.865(2) 0.342(2) 0.5022(7) 0.299(16) Uani 1 1 d D U . . .
H11A H 0.873409 0.294381 0.513170 0.449 Uiso 1 1 calc R U . . .
H11B H 0.820696 0.380688 0.508260 0.449 Uiso 1 1 calc R U . . .
H11C H 0.920952 0.372602 0.501118 0.449 Uiso 1 1 calc R U . . .
C111 C 0.1770(13) 0.3087(11) 0.4387(3) 0.136(6) Uani 1 1 d D U . . .
C112 C 0.1230(11) 0.2439(13) 0.4527(4) 0.158(8) Uani 1 1 d D U . . .
H11D H 0.144419 0.186736 0.449632 0.237 Uiso 1 1 calc R U . . .
H11E H 0.060600 0.247995 0.447394 0.237 Uiso 1 1 calc R U . . .
H11F H 0.129885 0.255870 0.469986 0.237 Uiso 1 1 calc R U . . .
C113 C 0.1381(18) 0.3989(15) 0.4431(5) 0.226(13) Uani 1 1 d D U . . .
H11G H 0.143822 0.412243 0.460303 0.338 Uiso 1 1 calc R U . . .
H11H H 0.075682 0.399965 0.437625 0.338 Uiso 1 1 calc R U . . .
H11I H 0.170461 0.440819 0.434119 0.338 Uiso 1 1 calc R U . . .
C114 C 0.1553(16) 0.290(2) 0.4123(3) 0.221(12) Uani 1 1 d D U . . .
H11J H 0.091189 0.288694 0.409176 0.331 Uiso 1 1 calc R U . . .
H11K H 0.180648 0.333980 0.402387 0.331 Uiso 1 1 calc R U . . .
H11L H 0.180150 0.235016 0.408154 0.331 Uiso 1 1 calc R U . . .
C115 C 0.3094(7) 0.1513(8) 0.50989(17) 0.071(3) Uani 1 1 d . . . . .
H11M H 0.303508 0.112448 0.523393 0.107 Uiso 1 1 calc R U . . .
H11N H 0.291515 0.122584 0.494816 0.107 Uiso 1 1 calc R U . . .
H11O H 0.271736 0.200693 0.511925 0.107 Uiso 1 1 calc R U . . .
C116 C 0.6267(7) 0.1658(8) 0.5306(2) 0.079(3) Uani 1 1 d . . . . .
H11P H 0.619128 0.122673 0.542926 0.119 Uiso 1 1 calc R U . . .
H11Q H 0.650246 0.217467 0.538207 0.119 Uiso 1 1 calc R U . . .
H11R H 0.667773 0.145172 0.518979 0.119 Uiso 1 1 calc R U . . .
C117 C 0.4738(8) 0.0087(7) 0.58842(17) 0.069(3) Uani 1 1 d . . . . .
H117 H 0.484153 0.045382 0.602914 0.083 Uiso 1 1 calc R U . . .
C118 C 0.3859(8) -0.0015(8) 0.58197(17) 0.075(3) Uani 1 1 d . . . . .
H118 H 0.344719 0.027738 0.592633 0.090 Uiso 1 1 calc R U . . .
C119 C 0.3484(9) -0.0810(8) 0.5694(2) 0.088(4) Uani 1 1 d . . . . .
H11S H 0.386385 -0.129710 0.574136 0.105 Uiso 1 1 calc R U . . .
H11T H 0.288959 -0.092180 0.575163 0.105 Uiso 1 1 calc R U . . .
C120 C 0.3419(8) -0.0743(8) 0.5423(2) 0.078(3) Uani 1 1 d . . . . .
H12A H 0.337401 -0.131774 0.535370 0.093 Uiso 1 1 calc R U . . .
H12B H 0.287189 -0.043523 0.537283 0.093 Uiso 1 1 calc R U . . .
C121 C 0.4192(7) -0.0297(6) 0.53211(18) 0.062(2) Uani 1 1 d . . . . .
H121 H 0.410117 -0.015079 0.514690 0.075 Uiso 1 1 calc R U . . .
C122 C 0.5061(8) -0.0342(6) 0.54008(18) 0.067(3) Uani 1 1 d . . . . .
H122 H 0.548334 -0.021839 0.527376 0.081 Uiso 1 1 calc R U . . .
C123 C 0.5424(9) -0.0923(7) 0.5595(2) 0.085(3) Uani 1 1 d . . . . .
H12C H 0.601779 -0.111656 0.555452 0.102 Uiso 1 1 calc R U . . .
H12D H 0.503991 -0.142618 0.560218 0.102 Uiso 1 1 calc R U . . .
C124 C 0.5490(10) -0.0492(8) 0.5845(2) 0.096(4) Uani 1 1 d . . . . .
H12E H 0.551005 -0.093308 0.597149 0.115 Uiso 1 1 calc R U . . .
H12F H 0.604727 -0.016845 0.586215 0.115 Uiso 1 1 calc R U . . .
C125 C 0.0966(10) 0.5263(13) 0.6947(3) 0.130(6) Uani 1 1 d . . . . .
H125 H 0.102287 0.478578 0.706412 0.156 Uiso 1 1 calc R U . . .
Cl1 Cl 0.1862(4) 0.5288(4) 0.67819(10) 0.176(3) Uani 1 1 d . U . . .
Cl2 Cl 0.0028(4) 0.5096(5) 0.67495(12) 0.203(3) Uani 1 1 d . U . . .
Cl3 Cl 0.0812(5) 0.6189(6) 0.70988(13) 0.230(4) Uani 1 1 d . U . . .
C126 C 0.8491(11) 0.0379(12) 0.6090(3) 0.131(6) Uani 1 1 d D . . . .
H126 H 0.846457 0.036159 0.590996 0.158 Uiso 1 1 calc R U . . .
Cl4 Cl 0.9555(3) 0.0237(5) 0.62036(13) 0.199(3) Uani 1 1 d . U . . .
Cl5 Cl 0.8046(5) 0.1291(5) 0.61879(11) 0.216(4) Uani 1 1 d . U . . .
Cl6 Cl 0.7799(5) -0.0423(6) 0.62067(13) 0.202(3) Uani 1 1 d D U . . .
C127 C 0.9199(19) 0.4589(15) 0.7560(4) 0.186(9) Uani 1 1 d D U . . .
H127 H 0.984580 0.463913 0.760119 0.223 Uiso 1 1 calc R U . . .
Cl7 Cl 0.9096(5) 0.4461(7) 0.72638(16) 0.256(4) Uani 1 1 d . U . . .
Cl8 Cl 0.8842(6) 0.3718(9) 0.77159(15) 0.283(5) Uani 1 1 d D U . . .
Cl9 Cl 0.8760(7) 0.5578(9) 0.7602(2) 0.327(6) Uani 1 1 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'
N N 0.0241 0.0134 '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'
Cl Cl 0.3281 0.5435 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0070 0.0029 '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'
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
C28 Rh1 C1 91.9(3) . . ?
C28 Rh1 C77 154.4(4) . . ?
C1 Rh1 C77 91.6(4) . . ?
C28 Rh1 C73 92.5(3) . . ?
C1 Rh1 C73 153.7(4) . . ?
C77 Rh1 C73 95.5(4) . . ?
C28 Rh1 C72 90.4(3) . . ?
C1 Rh1 C72 169.6(4) . . ?
C77 Rh1 C72 82.0(4) . . ?
C73 Rh1 C72 36.1(4) . . ?
C28 Rh1 C76 168.9(4) . . ?
C1 Rh1 C76 90.6(4) . . ?
C77 Rh1 C76 36.2(4) . . ?
C73 Rh1 C76 80.5(4) . . ?
C72 Rh1 C76 89.0(4) . . ?
C90 Rh2 C55 91.1(3) . . ?
C90 Rh2 C117 161.0(4) . . ?
C55 Rh2 C117 89.1(4) . . ?
C90 Rh2 C118 162.2(4) . . ?
C55 Rh2 C118 92.7(4) . . ?
C117 Rh2 C118 36.6(4) . . ?
C90 Rh2 C121 89.6(3) . . ?
C55 Rh2 C121 162.1(4) . . ?
C117 Rh2 C121 96.0(4) . . ?
C118 Rh2 C121 81.6(4) . . ?
C90 Rh2 C122 93.6(4) . . ?
C55 Rh2 C122 161.5(4) . . ?
C117 Rh2 C122 80.7(4) . . ?
C118 Rh2 C122 88.3(4) . . ?
C121 Rh2 C122 36.0(4) . . ?
F4 B1 F3 116(2) . . ?
F4 B1 F1 111.0(17) . . ?
F3 B1 F1 109.3(19) . . ?
F4 B1 F2 119.8(19) . . ?
F3 B1 F2 96.1(16) . . ?
F1 B1 F2 102.6(17) . . ?
F8 B2 F7 115(3) . . ?
F8 B2 F5 113(3) . . ?
F7 B2 F5 112(3) . . ?
F8 B2 F6 108(2) . . ?
F7 B2 F6 108(2) . . ?
F5 B2 F6 101(3) . . ?
F6' B2' F8' 110(3) . . ?
F6' B2' F7' 122(3) . . ?
F8' B2' F7' 107(3) . . ?
F6' B2' F5' 109(3) . . ?
F8' B2' F5' 100(3) . . ?
F7' B2' F5' 106(2) . . ?
C1 N1 C15 110.7(7) . . ?
C1 N1 C26 123.1(7) . . ?
C15 N1 C26 126.2(7) . . ?
C1 N2 C2 110.0(7) . . ?
C1 N2 C27 121.5(7) . . ?
C2 N2 C27 127.5(7) . . ?
C28 N3 C42 109.4(7) . . ?
C28 N3 C53 121.8(7) . . ?
C42 N3 C53 128.8(7) . . ?
C28 N4 C29 108.5(7) . . ?
C28 N4 C54 123.4(7) . . ?
C29 N4 C54 128.0(7) . . ?
C55 N5 C69 110.7(7) . . ?
C55 N5 C88 123.3(7) . . ?
C69 N5 C88 126.0(7) . . ?
C55 N6 C56 110.0(7) . . ?
C55 N6 C89 122.2(8) . . ?
C56 N6 C89 127.9(8) . . ?
C90 N7 C104 108.4(9) . . ?
C90 N7 C115 123.5(8) . . ?
C104 N7 C115 128.1(9) . . ?
C90 N8 C91 109.6(9) . . ?
C90 N8 C116 123.0(8) . . ?
C91 N8 C116 127.4(9) . . ?
N1 C1 N2 106.2(7) . . ?
N1 C1 Rh1 127.5(6) . . ?
N2 C1 Rh1 126.3(6) . . ?
C15 C2 N2 106.4(7) . . ?
C15 C2 C3 123.6(7) . . ?
N2 C2 C3 130.0(7) . . ?
C4 C3 C16 119.3(8) . . ?
C4 C3 C2 125.8(7) . . ?
C16 C3 C2 114.8(7) . . ?
C5 C4 C3 122.6(8) . . ?
C5 C4 H4 118.7 . . ?
C3 C4 H4 118.7 . . ?
C6 C5 C4 116.8(8) . . ?
C6 C5 C18 120.7(8) . . ?
C4 C5 C18 122.4(8) . . ?
C5 C6 C7 122.3(8) . . ?
C5 C6 H6 118.8 . . ?
C7 C6 H6 118.8 . . ?
C6 C7 C16 121.3(8) . . ?
C6 C7 C8 120.3(8) . . ?
C16 C7 C8 118.4(8) . . ?
C9 C8 C7 121.4(8) . . ?
C9 C8 H8 119.3 . . ?
C7 C8 H8 119.3 . . ?
C8 C9 C10 121.3(8) . . ?
C8 C9 H9 119.4 . . ?
C10 C9 H9 119.4 . . ?
C11 C10 C17 118.5(8) . . ?
C11 C10 C9 121.8(8) . . ?
C17 C10 C9 119.7(8) . . ?
C12 C11 C10 123.5(8) . . ?
C12 C11 H11 118.2 . . ?
C10 C11 H11 118.2 . . ?
C11 C12 C13 116.8(8) . . ?
C11 C12 C22 123.5(8) . . ?
C13 C12 C22 119.7(8) . . ?
C14 C13 C12 122.5(8) . . ?
C14 C13 H13 118.7 . . ?
C12 C13 H13 118.7 . . ?
C13 C14 C17 120.1(7) . . ?
C13 C14 C15 126.0(8) . . ?
C17 C14 C15 113.9(7) . . ?
C2 C15 N1 106.7(7) . . ?
C2 C15 C14 122.8(7) . . ?
N1 C15 C14 130.5(7) . . ?
C7 C16 C3 117.6(8) . . ?
C7 C16 C17 121.2(7) . . ?
C3 C16 C17 121.1(7) . . ?
C10 C17 C14 118.5(7) . . ?
C10 C17 C16 118.0(7) . . ?
C14 C17 C16 123.6(7) . . ?
C20 C18 C5 112.7(9) . . ?
C20 C18 C21 109.4(12) . . ?
C5 C18 C21 115.2(9) . . ?
C20 C18 C19 105.6(12) . . ?
C5 C18 C19 109.6(9) . . ?
C21 C18 C19 103.6(11) . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C24 C22 C12 110.8(9) . . ?
C24 C22 C23 108.3(9) . . ?
C12 C22 C23 112.4(8) . . ?
C24 C22 C25 108.1(10) . . ?
C12 C22 C25 108.7(8) . . ?
C23 C22 C25 108.5(10) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C22 C25 H25A 109.5 . . ?
C22 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C22 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N1 C26 H26A 109.5 . . ?
N1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
N2 C27 H27A 109.5 . . ?
N2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N3 C28 N4 106.8(7) . . ?
N3 C28 Rh1 128.7(6) . . ?
N4 C28 Rh1 124.4(6) . . ?
C42 C29 N4 108.4(7) . . ?
C42 C29 C30 122.6(8) . . ?
N4 C29 C30 128.9(8) . . ?
C31 C30 C43 119.6(8) . . ?
C31 C30 C29 125.6(8) . . ?
C43 C30 C29 114.7(7) . . ?
C30 C31 C32 122.0(8) . . ?
C30 C31 H31 119.0 . . ?
C32 C31 H31 119.0 . . ?
C33 C32 C31 120.4(9) . . ?
C33 C32 C45 119.7(8) . . ?
C31 C32 C45 119.8(9) . . ?
C32 C33 C34 120.3(8) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C33 C34 C43 121.1(8) . . ?
C33 C34 C35 122.1(8) . . ?
C43 C34 C35 116.8(8) . . ?
C36 C35 C34 122.4(8) . . ?
C36 C35 H35 118.8 . . ?
C34 C35 H35 118.8 . . ?
C35 C36 C37 121.2(8) . . ?
C35 C36 H36 119.4 . . ?
C37 C36 H36 119.4 . . ?
C38 C37 C36 121.3(9) . . ?
C38 C37 C44 119.9(8) . . ?
C36 C37 C44 118.8(8) . . ?
C37 C38 C39 122.9(9) . . ?
C37 C38 H38 118.5 . . ?
C39 C38 H38 118.5 . . ?
C38 C39 C40 116.8(9) . . ?
C38 C39 C49 124.1(9) . . ?
C40 C39 C49 119.1(9) . . ?
C41 C40 C39 122.6(8) . . ?
C41 C40 H40 118.7 . . ?
C39 C40 H40 118.7 . . ?
C40 C41 C44 119.4(8) . . ?
C40 C41 C42 125.6(8) . . ?
C44 C41 C42 115.0(7) . . ?
C29 C42 N3 106.8(7) . . ?
C29 C42 C41 123.5(7) . . ?
N3 C42 C41 129.7(8) . . ?
C30 C43 C44 122.2(7) . . ?
C30 C43 C34 116.7(8) . . ?
C44 C43 C34 121.0(8) . . ?
C41 C44 C43 121.9(7) . . ?
C41 C44 C37 118.3(8) . . ?
C43 C44 C37 119.7(8) . . ?
C47 C45 C32 109.0(8) . . ?
C47 C45 C46 111.7(10) . . ?
C32 C45 C46 110.3(9) . . ?
C47 C45 C48 106.3(10) . . ?
C32 C45 C48 114.2(8) . . ?
C46 C45 C48 105.3(9) . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C45 C47 H47A 109.5 . . ?
C45 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C45 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C51 C49 C39 110.3(10) . . ?
C51 C49 C52 108.8(13) . . ?
C39 C49 C52 112.8(10) . . ?
C51 C49 C50 104.6(10) . . ?
C39 C49 C50 113.3(9) . . ?
C52 C49 C50 106.7(12) . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C49 C52 H52A 109.5 . . ?
C49 C52 H52B 109.5 . . ?
H52A C52 H52B 109.5 . . ?
C49 C52 H52C 109.5 . . ?
H52A C52 H52C 109.5 . . ?
H52B C52 H52C 109.5 . . ?
N3 C53 H53A 109.5 . . ?
N3 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
N3 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
N4 C54 H54A 109.5 . . ?
N4 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
N4 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
N5 C55 N6 106.7(8) . . ?
N5 C55 Rh2 126.5(6) . . ?
N6 C55 Rh2 126.8(6) . . ?
C69 C56 N6 106.7(7) . . ?
C69 C56 C57 122.2(9) . . ?
N6 C56 C57 131.1(8) . . ?
C70 C57 C58 118.9(9) . . ?
C70 C57 C56 116.5(8) . . ?
C58 C57 C56 124.6(10) . . ?
C59 C58 C57 122.2(12) . . ?
C59 C58 H58 118.9 . . ?
C57 C58 H58 118.9 . . ?
C60 C59 C58 117.5(11) . . ?
C60 C59 C80 122.3(11) . . ?
C58 C59 C80 120.3(13) . . ?
C59 C60 C61 123.1(11) . . ?
C59 C60 H60 118.4 . . ?
C61 C60 H60 118.4 . . ?
C62 C61 C60 121.3(10) . . ?
C62 C61 C70 120.2(10) . . ?
C60 C61 C70 118.6(11) . . ?
C63 C62 C61 120.9(10) . . ?
C63 C62 H62 119.5 . . ?
C61 C62 H62 119.5 . . ?
C62 C63 C64 122.0(10) . . ?
C62 C63 H63 119.0 . . ?
C64 C63 H63 119.0 . . ?
C65 C64 C63 121.9(9) . . ?
C65 C64 C71 120.4(8) . . ?
C63 C64 C71 117.7(10) . . ?
C66 C65 C64 121.8(8) . . ?
C66 C65 H65 119.1 . . ?
C64 C65 H65 119.1 . . ?
C67 C66 C65 116.9(9) . . ?
C67 C66 C84 123.3(9) . . ?
C65 C66 C84 119.8(9) . . ?
C66 C67 C68 124.5(8) . . ?
C66 C67 H67 117.7 . . ?
C68 C67 H67 117.7 . . ?
C67 C68 C69 125.3(8) . . ?
C67 C68 C71 118.2(8) . . ?
C69 C68 C71 116.4(8) . . ?
C56 C69 N5 105.9(7) . . ?
C56 C69 C68 122.1(8) . . ?
N5 C69 C68 132.0(8) . . ?
C57 C70 C61 119.7(9) . . ?
C57 C70 C71 121.3(8) . . ?
C61 C70 C71 119.0(10) . . ?
C70 C71 C68 121.6(8) . . ?
C70 C71 C64 120.3(8) . . ?
C68 C71 C64 118.1(8) . . ?
C73 C72 C79 125.1(11) . . ?
C73 C72 Rh1 71.4(6) . . ?
C79 C72 Rh1 109.7(7) . . ?
C73 C72 H72 114.2 . . ?
C79 C72 H72 114.2 . . ?
Rh1 C72 H72 114.2 . . ?
C72 C73 C74 127.0(10) . . ?
C72 C73 Rh1 72.5(5) . . ?
C74 C73 Rh1 108.8(6) . . ?
C72 C73 H73 113.5 . . ?
C74 C73 H73 113.5 . . ?
Rh1 C73 H73 113.5 . . ?
C73 C74 C75 113.9(10) . . ?
C73 C74 H74A 108.8 . . ?
C75 C74 H74A 108.8 . . ?
C73 C74 H74B 108.8 . . ?
C75 C74 H74B 108.8 . . ?
H74A C74 H74B 107.7 . . ?
C76 C75 C74 115.5(9) . . ?
C76 C75 H75A 108.4 . . ?
C74 C75 H75A 108.4 . . ?
C76 C75 H75B 108.4 . . ?
C74 C75 H75B 108.4 . . ?
H75A C75 H75B 107.5 . . ?
C77 C76 C75 123.8(12) . . ?
C77 C76 Rh1 70.8(6) . . ?
C75 C76 Rh1 110.9(7) . . ?
C77 C76 H76 114.4 . . ?
C75 C76 H76 114.4 . . ?
Rh1 C76 H76 114.4 . . ?
C76 C77 C78 128.1(12) . . ?
C76 C77 Rh1 73.0(6) . . ?
C78 C77 Rh1 106.3(7) . . ?
C76 C77 H77 113.5 . . ?
C78 C77 H77 113.5 . . ?
Rh1 C77 H77 113.5 . . ?
C79 C78 C77 113.8(12) . . ?
C79 C78 H78A 108.8 . . ?
C77 C78 H78A 108.8 . . ?
C79 C78 H78B 108.8 . . ?
C77 C78 H78B 108.8 . . ?
H78A C78 H78B 107.7 . . ?
C78 C79 C72 115.3(9) . . ?
C78 C79 H79A 108.5 . . ?
C72 C79 H79A 108.4 . . ?
C78 C79 H79B 108.5 . . ?
C72 C79 H79B 108.5 . . ?
H79A C79 H79B 107.5 . . ?
C82 C80 C59 111.8(10) . . ?
C82 C80 C83 107.1(12) . . ?
C59 C80 C83 112.3(13) . . ?
C82 C80 C81 106.9(14) . . ?
C59 C80 C81 110.5(10) . . ?
C83 C80 C81 108.0(11) . . ?
C80 C81 H81A 109.5 . . ?
C80 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C80 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C80 C82 H82A 109.5 . . ?
C80 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C80 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C80 C83 H83A 109.5 . . ?
C80 C83 H83B 109.5 . . ?
H83A C83 H83B 109.5 . . ?
C80 C83 H83C 109.5 . . ?
H83A C83 H83C 109.5 . . ?
H83B C83 H83C 109.5 . . ?
C66 C84 C85 113.0(8) . . ?
C66 C84 C87 109.5(8) . . ?
C85 C84 C87 107.7(9) . . ?
C66 C84 C86 109.0(8) . . ?
C85 C84 C86 108.2(9) . . ?
C87 C84 C86 109.5(9) . . ?
C84 C85 H85A 109.5 . . ?
C84 C85 H85B 109.5 . . ?
H85A C85 H85B 109.5 . . ?
C84 C85 H85C 109.5 . . ?
H85A C85 H85C 109.5 . . ?
H85B C85 H85C 109.5 . . ?
C84 C86 H86A 109.5 . . ?
C84 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C84 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C84 C87 H87A 109.5 . . ?
C84 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C84 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
N5 C88 H88A 109.5 . . ?
N5 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
N5 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
N6 C89 H89A 109.5 . . ?
N6 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
N6 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
N8 C90 N7 107.3(8) . . ?
N8 C90 Rh2 127.6(7) . . ?
N7 C90 Rh2 125.1(6) . . ?
C104 C91 N8 106.5(8) . . ?
C104 C91 C92 122.8(11) . . ?
N8 C91 C92 130.7(12) . . ?
C93 C92 C91 123.5(12) . . ?
C93 C92 C105 122.3(11) . . ?
C91 C92 C105 114.2(12) . . ?
C92 C93 C94 119.5(15) . . ?
C92 C93 H93 120.2 . . ?
C94 C93 H93 120.2 . . ?
C95 C94 C93 118.7(17) . . ?
C95 C94 C107 125.5(17) . . ?
C93 C94 C107 115.5(19) . . ?
C96 C95 C94 123.4(14) . . ?
C96 C95 H95 118.3 . . ?
C94 C95 H95 118.3 . . ?
C95 C96 C105 122.1(15) . . ?
C95 C96 C97 124.8(14) . . ?
C105 C96 C97 113.0(15) . . ?
C98 C97 C96 123.4(12) . . ?
C98 C97 H97 118.3 . . ?
C96 C97 H97 118.3 . . ?
C97 C98 C99 121.8(13) . . ?
C97 C98 H98 119.1 . . ?
C99 C98 H98 119.1 . . ?
C100 C99 C98 123.1(12) . . ?
C100 C99 C106 116.6(12) . . ?
C98 C99 C106 120.2(13) . . ?
C101 C100 C99 124.8(12) . . ?
C101 C100 H100 117.6 . . ?
C99 C100 H100 117.6 . . ?
C100 C101 C102 118.2(16) . . ?
C100 C101 C111 121.7(12) . . ?
C102 C101 C111 120.1(15) . . ?
C101 C102 C103 119.9(14) . . ?
C101 C102 H102 120.0 . . ?
C103 C102 H102 120.0 . . ?
C106 C103 C102 120.0(12) . . ?
C106 C103 C104 116.2(12) . . ?
C102 C103 C104 123.7(10) . . ?
C91 C104 N7 108.1(9) . . ?
C91 C104 C103 122.5(10) . . ?
N7 C104 C103 129.4(12) . . ?
C106 C105 C92 122.2(10) . . ?
C106 C105 C96 123.9(13) . . ?
C92 C105 C96 113.9(13) . . ?
C103 C106 C105 122.0(11) . . ?
C103 C106 C99 120.4(13) . . ?
C105 C106 C99 117.6(11) . . ?
C109 C107 C108 108(2) . . ?
C109 C107 C94 115(3) . . ?
C108 C107 C94 117(2) . . ?
C109 C107 C110 98(3) . . ?
C108 C107 C110 105(3) . . ?
C94 C107 C110 112(2) . . ?
C107 C108 H10A 109.5 . . ?
C107 C108 H10B 109.5 . . ?
H10A C108 H10B 109.5 . . ?
C107 C108 H10C 109.5 . . ?
H10A C108 H10C 109.5 . . ?
H10B C108 H10C 109.5 . . ?
C107 C109 H10D 109.5 . . ?
C107 C109 H10E 109.5 . . ?
H10D C109 H10E 109.5 . . ?
C107 C109 H10F 109.5 . . ?
H10D C109 H10F 109.5 . . ?
H10E C109 H10F 109.5 . . ?
C107 C110 H11A 109.5 . . ?
C107 C110 H11B 109.5 . . ?
H11A C110 H11B 109.5 . . ?
C107 C110 H11C 109.5 . . ?
H11A C110 H11C 109.5 . . ?
H11B C110 H11C 109.5 . . ?
C101 C111 C114 113.8(15) . . ?
C101 C111 C112 116.0(13) . . ?
C114 C111 C112 105.4(19) . . ?
C101 C111 C113 107.6(17) . . ?
C114 C111 C113 105.3(18) . . ?
C112 C111 C113 108.1(18) . . ?
C111 C112 H11D 109.5 . . ?
C111 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C111 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C111 C113 H11G 109.5 . . ?
C111 C113 H11H 109.5 . . ?
H11G C113 H11H 109.5 . . ?
C111 C113 H11I 109.5 . . ?
H11G C113 H11I 109.5 . . ?
H11H C113 H11I 109.5 . . ?
C111 C114 H11J 109.5 . . ?
C111 C114 H11K 109.5 . . ?
H11J C114 H11K 109.5 . . ?
C111 C114 H11L 109.5 . . ?
H11J C114 H11L 109.5 . . ?
H11K C114 H11L 109.5 . . ?
N7 C115 H11M 109.5 . . ?
N7 C115 H11N 109.5 . . ?
H11M C115 H11N 109.5 . . ?
N7 C115 H11O 109.5 . . ?
H11M C115 H11O 109.5 . . ?
H11N C115 H11O 109.5 . . ?
N8 C116 H11P 109.5 . . ?
N8 C116 H11Q 109.5 . . ?
H11P C116 H11Q 109.5 . . ?
N8 C116 H11R 109.5 . . ?
H11P C116 H11R 109.5 . . ?
H11Q C116 H11R 109.5 . . ?
C118 C117 C124 129.1(11) . . ?
C118 C117 Rh2 73.1(6) . . ?
C124 C117 Rh2 108.1(7) . . ?
C118 C117 H117 112.8 . . ?
C124 C117 H117 112.8 . . ?
Rh2 C117 H117 112.8 . . ?
C117 C118 C119 123.2(12) . . ?
C117 C118 Rh2 70.3(5) . . ?
C119 C118 Rh2 110.1(7) . . ?
C117 C118 H118 114.9 . . ?
C119 C118 H118 114.9 . . ?
Rh2 C118 H118 114.9 . . ?
C120 C119 C118 113.5(9) . . ?
C120 C119 H11S 108.9 . . ?
C118 C119 H11S 108.9 . . ?
C120 C119 H11T 108.9 . . ?
C118 C119 H11T 108.9 . . ?
H11S C119 H11T 107.7 . . ?
C121 C120 C119 113.5(9) . . ?
C121 C120 H12A 108.9 . . ?
C119 C120 H12A 108.9 . . ?
C121 C120 H12B 108.9 . . ?
C119 C120 H12B 108.9 . . ?
H12A C120 H12B 107.7 . . ?
C122 C121 C120 127.6(10) . . ?
C122 C121 Rh2 72.5(6) . . ?
C120 C121 Rh2 105.9(7) . . ?
C122 C121 H121 113.9 . . ?
C120 C121 H121 113.9 . . ?
Rh2 C121 H121 113.9 . . ?
C121 C122 C123 125.0(10) . . ?
C121 C122 Rh2 71.5(6) . . ?
C123 C122 Rh2 111.0(7) . . ?
C121 C122 H122 113.9 . . ?
C123 C122 H122 113.9 . . ?
Rh2 C122 H122 113.9 . . ?
C122 C123 C124 112.4(9) . . ?
C122 C123 H12C 109.1 . . ?
C124 C123 H12C 109.1 . . ?
C122 C123 H12D 109.1 . . ?
C124 C123 H12D 109.1 . . ?
H12C C123 H12D 107.9 . . ?
C117 C124 C123 113.0(9) . . ?
C117 C124 H12E 109.0 . . ?
C123 C124 H12E 109.0 . . ?
C117 C124 H12F 109.0 . . ?
C123 C124 H12F 109.0 . . ?
H12E C124 H12F 107.8 . . ?
Cl1 C125 Cl3 112.6(13) . . ?
Cl1 C125 Cl2 108.2(9) . . ?
Cl3 C125 Cl2 107.9(9) . . ?
Cl1 C125 H125 109.4 . . ?
Cl3 C125 H125 109.4 . . ?
Cl2 C125 H125 109.4 . . ?
Cl5 C126 Cl4 112.1(12) . . ?
Cl5 C126 Cl6 103.5(9) . . ?
Cl4 C126 Cl6 109.3(10) . . ?
Cl5 C126 H126 110.6 . . ?
Cl4 C126 H126 110.6 . . ?
Cl6 C126 H126 110.6 . . ?
Cl7 C127 Cl9 103.4(16) . . ?
Cl7 C127 Cl8 112.8(14) . . ?
Cl9 C127 Cl8 121.3(16) . . ?
Cl7 C127 H127 106.1 . . ?
Cl9 C127 H127 106.1 . . ?
Cl8 C127 H127 106.1 . . ?
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 C28 2.057(8) . ?
Rh1 C1 2.061(8) . ?
Rh1 C77 2.187(9) . ?
Rh1 C73 2.188(8) . ?
Rh1 C72 2.202(9) . ?
Rh1 C76 2.214(9) . ?
Rh2 C90 2.062(9) . ?
Rh2 C55 2.072(9) . ?
Rh2 C117 2.168(9) . ?
Rh2 C118 2.203(9) . ?
Rh2 C121 2.214(9) . ?
Rh2 C122 2.226(10) . ?
B1 F4 1.21(2) . ?
B1 F3 1.358(17) . ?
B1 F1 1.374(16) . ?
B1 F2 1.378(16) . ?
B2 F8 1.313(17) . ?
B2 F7 1.32(3) . ?
B2 F5 1.33(3) . ?
B2 F6 1.400(18) . ?
B2' F6' 1.325(16) . ?
B2' F8' 1.328(17) . ?
B2' F7' 1.330(17) . ?
B2' F5' 1.358(13) . ?
N1 C1 1.345(11) . ?
N1 C15 1.399(10) . ?
N1 C26 1.472(11) . ?
N2 C1 1.366(11) . ?
N2 C2 1.402(10) . ?
N2 C27 1.447(10) . ?
N3 C28 1.354(10) . ?
N3 C42 1.410(9) . ?
N3 C53 1.433(11) . ?
N4 C28 1.373(10) . ?
N4 C29 1.396(10) . ?
N4 C54 1.456(11) . ?
N5 C55 1.342(11) . ?
N5 C69 1.397(10) . ?
N5 C88 1.457(10) . ?
N6 C55 1.349(11) . ?
N6 C56 1.398(12) . ?
N6 C89 1.446(11) . ?
N7 C90 1.375(11) . ?
N7 C104 1.382(12) . ?
N7 C115 1.460(13) . ?
N8 C90 1.341(11) . ?
N8 C91 1.399(13) . ?
N8 C116 1.438(14) . ?
C2 C15 1.371(11) . ?
C2 C3 1.445(11) . ?
C3 C4 1.407(12) . ?
C3 C16 1.430(11) . ?
C4 C5 1.401(12) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(12) . ?
C5 C18 1.501(12) . ?
C6 C7 1.392(12) . ?
C6 H6 0.9500 . ?
C7 C16 1.400(11) . ?
C7 C8 1.442(11) . ?
C8 C9 1.326(12) . ?
C8 H8 0.9500 . ?
C9 C10 1.441(12) . ?
C9 H9 0.9500 . ?
C10 C11 1.395(12) . ?
C10 C17 1.415(11) . ?
C11 C12 1.386(12) . ?
C11 H11 0.9500 . ?
C12 C13 1.396(11) . ?
C12 C22 1.533(12) . ?
C13 C14 1.373(11) . ?
C13 H13 0.9500 . ?
C14 C17 1.423(11) . ?
C14 C15 1.457(11) . ?
C16 C17 1.435(11) . ?
C18 C20 1.479(18) . ?
C18 C21 1.532(16) . ?
C18 C19 1.578(17) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C24 1.507(15) . ?
C22 C23 1.533(14) . ?
C22 C25 1.536(15) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C29 C42 1.341(12) . ?
C29 C30 1.458(11) . ?
C30 C31 1.383(11) . ?
C30 C43 1.415(12) . ?
C31 C32 1.388(12) . ?
C31 H31 0.9500 . ?
C32 C33 1.343(13) . ?
C32 C45 1.552(13) . ?
C33 C34 1.393(13) . ?
C33 H33 0.9500 . ?
C34 C43 1.446(11) . ?
C34 C35 1.449(12) . ?
C35 C36 1.358(11) . ?
C35 H35 0.9500 . ?
C36 C37 1.436(12) . ?
C36 H36 0.9500 . ?
C37 C38 1.378(13) . ?
C37 C44 1.437(12) . ?
C38 C39 1.388(14) . ?
C38 H38 0.9500 . ?
C39 C40 1.418(13) . ?
C39 C49 1.521(14) . ?
C40 C41 1.392(12) . ?
C40 H40 0.9500 . ?
C41 C44 1.413(11) . ?
C41 C42 1.442(11) . ?
C43 C44 1.420(12) . ?
C45 C47 1.528(15) . ?
C45 C46 1.559(15) . ?
C45 C48 1.561(16) . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 0.9800 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C51 1.512(17) . ?
C49 C52 1.523(17) . ?
C49 C50 1.556(16) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 H52A 0.9800 . ?
C52 H52B 0.9800 . ?
C52 H52C 0.9800 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C56 C69 1.375(12) . ?
C56 C57 1.441(12) . ?
C57 C70 1.405(14) . ?
C57 C58 1.421(14) . ?
C58 C59 1.394(15) . ?
C58 H58 0.9500 . ?
C59 C60 1.376(18) . ?
C59 C80 1.515(16) . ?
C60 C61 1.412(16) . ?
C60 H60 0.9500 . ?
C61 C62 1.404(16) . ?
C61 C70 1.415(13) . ?
C62 C63 1.355(13) . ?
C62 H62 0.9500 . ?
C63 C64 1.420(13) . ?
C63 H63 0.9500 . ?
C64 C65 1.412(13) . ?
C64 C71 1.438(13) . ?
C65 C66 1.405(13) . ?
C65 H65 0.9500 . ?
C66 C67 1.386(12) . ?
C66 C84 1.491(13) . ?
C67 C68 1.418(12) . ?
C67 H67 0.9500 . ?
C68 C69 1.419(11) . ?
C68 C71 1.427(12) . ?
C70 C71 1.419(13) . ?
C72 C73 1.360(15) . ?
C72 C79 1.536(16) . ?
C72 H72 1.0000 . ?
C73 C74 1.496(15) . ?
C73 H73 1.0000 . ?
C74 C75 1.504(16) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.483(14) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 C77 1.367(16) . ?
C76 H76 1.0000 . ?
C77 C78 1.547(18) . ?
C77 H77 1.0000 . ?
C78 C79 1.487(19) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 C82 1.510(19) . ?
C80 C83 1.518(15) . ?
C80 C81 1.530(19) . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 H83A 0.9800 . ?
C83 H83B 0.9800 . ?
C83 H83C 0.9800 . ?
C84 C85 1.514(15) . ?
C84 C87 1.537(13) . ?
C84 C86 1.552(13) . ?
C85 H85A 0.9800 . ?
C85 H85B 0.9800 . ?
C85 H85C 0.9800 . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C91 C104 1.359(16) . ?
C91 C92 1.448(14) . ?
C92 C93 1.391(14) . ?
C92 C105 1.452(17) . ?
C93 C94 1.431(14) . ?
C93 H93 0.9500 . ?
C94 C95 1.36(3) . ?
C94 C107 1.53(3) . ?
C95 C96 1.34(2) . ?
C95 H95 0.9500 . ?
C96 C105 1.462(16) . ?
C96 C97 1.46(2) . ?
C97 C98 1.337(19) . ?
C97 H97 0.9500 . ?
C98 C99 1.415(17) . ?
C98 H98 0.9500 . ?
C99 C100 1.378(14) . ?
C99 C106 1.416(13) . ?
C100 C101 1.37(2) . ?
C100 H100 0.9500 . ?
C101 C102 1.390(16) . ?
C101 C111 1.46(2) . ?
C102 C103 1.406(18) . ?
C102 H102 0.9500 . ?
C103 C106 1.391(12) . ?
C103 C104 1.456(16) . ?
C105 C106 1.415(14) . ?
C107 C109 1.41(3) . ?
C107 C108 1.512(18) . ?
C107 C110 1.60(4) . ?
C108 H10A 0.9800 . ?
C108 H10B 0.9800 . ?
C108 H10C 0.9800 . ?
C109 H10D 0.9800 . ?
C109 H10E 0.9800 . ?
C109 H10F 0.9800 . ?
C110 H11A 0.9800 . ?
C110 H11B 0.9800 . ?
C110 H11C 0.9800 . ?
C111 C114 1.524(16) . ?
C111 C112 1.551(13) . ?
C111 C113 1.571(17) . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
C113 H11G 0.9800 . ?
C113 H11H 0.9800 . ?
C113 H11I 0.9800 . ?
C114 H11J 0.9800 . ?
C114 H11K 0.9800 . ?
C114 H11L 0.9800 . ?
C115 H11M 0.9800 . ?
C115 H11N 0.9800 . ?
C115 H11O 0.9800 . ?
C116 H11P 0.9800 . ?
C116 H11Q 0.9800 . ?
C116 H11R 0.9800 . ?
C117 C118 1.373(15) . ?
C117 C124 1.490(17) . ?
C117 H117 1.0000 . ?
C118 C119 1.534(15) . ?
C118 H118 1.0000 . ?
C119 C120 1.515(15) . ?
C119 H11S 0.9900 . ?
C119 H11T 0.9900 . ?
C120 C121 1.507(14) . ?
C120 H12A 0.9900 . ?
C120 H12B 0.9900 . ?
C121 C122 1.371(15) . ?
C121 H121 1.0000 . ?
C122 C123 1.503(15) . ?
C122 H122 1.0000 . ?
C123 C124 1.550(17) . ?
C123 H12C 0.9900 . ?
C123 H12D 0.9900 . ?
C124 H12E 0.9900 . ?
C124 H12F 0.9900 . ?
C125 Cl1 1.683(16) . ?
C125 Cl3 1.72(2) . ?
C125 Cl2 1.770(17) . ?
C125 H125 1.0000 . ?
C126 Cl5 1.698(18) . ?
C126 Cl4 1.718(18) . ?
C126 Cl6 1.795(17) . ?
C126 H126 1.0000 . ?
C127 Cl7 1.66(2) . ?
C127 Cl9 1.72(3) . ?
C127 Cl8 1.73(2) . ?
C127 H127 1.0000 . ?
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
C15 N1 C1 N2 1.4(9) . . . . ?
C26 N1 C1 N2 178.5(7) . . . . ?
C15 N1 C1 Rh1 -178.9(6) . . . . ?
C26 N1 C1 Rh1 -1.9(12) . . . . ?
C2 N2 C1 N1 -0.9(9) . . . . ?
C27 N2 C1 N1 -170.4(7) . . . . ?
C2 N2 C1 Rh1 179.5(6) . . . . ?
C27 N2 C1 Rh1 10.0(11) . . . . ?
C1 N2 C2 C15 0.0(9) . . . . ?
C27 N2 C2 C15 168.7(8) . . . . ?
C1 N2 C2 C3 179.5(8) . . . . ?
C27 N2 C2 C3 -11.9(14) . . . . ?
C15 C2 C3 C4 174.5(8) . . . . ?
N2 C2 C3 C4 -4.8(14) . . . . ?
C15 C2 C3 C16 -4.0(11) . . . . ?
N2 C2 C3 C16 176.7(7) . . . . ?
C16 C3 C4 C5 -1.9(13) . . . . ?
C2 C3 C4 C5 179.7(8) . . . . ?
C3 C4 C5 C6 0.5(13) . . . . ?
C3 C4 C5 C18 178.0(9) . . . . ?
C4 C5 C6 C7 0.7(13) . . . . ?
C18 C5 C6 C7 -176.8(9) . . . . ?
C5 C6 C7 C16 -0.6(13) . . . . ?
C5 C6 C7 C8 179.7(8) . . . . ?
C6 C7 C8 C9 -176.0(9) . . . . ?
C16 C7 C8 C9 4.3(13) . . . . ?
C7 C8 C9 C10 -1.8(14) . . . . ?
C8 C9 C10 C11 179.0(9) . . . . ?
C8 C9 C10 C17 -1.0(14) . . . . ?
C17 C10 C11 C12 1.9(14) . . . . ?
C9 C10 C11 C12 -178.0(9) . . . . ?
C10 C11 C12 C13 -2.3(14) . . . . ?
C10 C11 C12 C22 174.8(9) . . . . ?
C11 C12 C13 C14 0.8(13) . . . . ?
C22 C12 C13 C14 -176.4(8) . . . . ?
C12 C13 C14 C17 0.9(12) . . . . ?
C12 C13 C14 C15 -179.2(8) . . . . ?
N2 C2 C15 N1 0.8(8) . . . . ?
C3 C2 C15 N1 -178.6(7) . . . . ?
N2 C2 C15 C14 -179.4(7) . . . . ?
C3 C2 C15 C14 1.1(12) . . . . ?
C1 N1 C15 C2 -1.4(9) . . . . ?
C26 N1 C15 C2 -178.4(7) . . . . ?
C1 N1 C15 C14 178.8(8) . . . . ?
C26 N1 C15 C14 1.9(13) . . . . ?
C13 C14 C15 C2 -177.7(8) . . . . ?
C17 C14 C15 C2 2.2(11) . . . . ?
C13 C14 C15 N1 2.0(14) . . . . ?
C17 C14 C15 N1 -178.1(8) . . . . ?
C6 C7 C16 C3 -0.8(12) . . . . ?
C8 C7 C16 C3 178.9(7) . . . . ?
C6 C7 C16 C17 176.3(8) . . . . ?
C8 C7 C16 C17 -4.0(12) . . . . ?
C4 C3 C16 C7 1.9(11) . . . . ?
C2 C3 C16 C7 -179.5(7) . . . . ?
C4 C3 C16 C17 -175.1(7) . . . . ?
C2 C3 C16 C17 3.5(11) . . . . ?
C11 C10 C17 C14 -0.1(12) . . . . ?
C9 C10 C17 C14 179.9(8) . . . . ?
C11 C10 C17 C16 -178.8(8) . . . . ?
C9 C10 C17 C16 1.2(12) . . . . ?
C13 C14 C17 C10 -1.3(12) . . . . ?
C15 C14 C17 C10 178.8(7) . . . . ?
C13 C14 C17 C16 177.3(7) . . . . ?
C15 C14 C17 C16 -2.6(11) . . . . ?
C7 C16 C17 C10 1.4(11) . . . . ?
C3 C16 C17 C10 178.3(7) . . . . ?
C7 C16 C17 C14 -177.2(7) . . . . ?
C3 C16 C17 C14 -0.3(12) . . . . ?
C6 C5 C18 C20 53.7(15) . . . . ?
C4 C5 C18 C20 -123.8(13) . . . . ?
C6 C5 C18 C21 -179.9(12) . . . . ?
C4 C5 C18 C21 2.7(16) . . . . ?
C6 C5 C18 C19 -63.6(13) . . . . ?
C4 C5 C18 C19 119.0(11) . . . . ?
C11 C12 C22 C24 131.1(10) . . . . ?
C13 C12 C22 C24 -51.9(12) . . . . ?
C11 C12 C22 C23 9.8(14) . . . . ?
C13 C12 C22 C23 -173.2(9) . . . . ?
C11 C12 C22 C25 -110.2(11) . . . . ?
C13 C12 C22 C25 66.7(12) . . . . ?
C42 N3 C28 N4 -0.9(8) . . . . ?
C53 N3 C28 N4 179.8(7) . . . . ?
C42 N3 C28 Rh1 -177.8(5) . . . . ?
C53 N3 C28 Rh1 2.9(11) . . . . ?
C29 N4 C28 N3 1.4(8) . . . . ?
C54 N4 C28 N3 -176.5(7) . . . . ?
C29 N4 C28 Rh1 178.5(5) . . . . ?
C54 N4 C28 Rh1 0.6(11) . . . . ?
C28 N4 C29 C42 -1.4(9) . . . . ?
C54 N4 C29 C42 176.3(8) . . . . ?
C28 N4 C29 C30 174.7(7) . . . . ?
C54 N4 C29 C30 -7.6(13) . . . . ?
C42 C29 C30 C31 174.3(8) . . . . ?
N4 C29 C30 C31 -1.3(13) . . . . ?
C42 C29 C30 C43 -2.2(11) . . . . ?
N4 C29 C30 C43 -177.9(7) . . . . ?
C43 C30 C31 C32 -0.2(12) . . . . ?
C29 C30 C31 C32 -176.6(8) . . . . ?
C30 C31 C32 C33 -1.2(13) . . . . ?
C30 C31 C32 C45 175.3(8) . . . . ?
C31 C32 C33 C34 1.7(13) . . . . ?
C45 C32 C33 C34 -174.9(8) . . . . ?
C32 C33 C34 C43 -0.7(12) . . . . ?
C32 C33 C34 C35 178.2(8) . . . . ?
C33 C34 C35 C36 -177.4(8) . . . . ?
C43 C34 C35 C36 1.5(12) . . . . ?
C34 C35 C36 C37 0.6(13) . . . . ?
C35 C36 C37 C38 177.8(9) . . . . ?
C35 C36 C37 C44 -1.9(13) . . . . ?
C36 C37 C38 C39 -178.8(9) . . . . ?
C44 C37 C38 C39 0.9(14) . . . . ?
C37 C38 C39 C40 0.3(14) . . . . ?
C37 C38 C39 C49 179.7(9) . . . . ?
C38 C39 C40 C41 -1.2(13) . . . . ?
C49 C39 C40 C41 179.3(9) . . . . ?
C39 C40 C41 C44 0.9(13) . . . . ?
C39 C40 C41 C42 179.4(8) . . . . ?
N4 C29 C42 N3 0.8(9) . . . . ?
C30 C29 C42 N3 -175.6(7) . . . . ?
N4 C29 C42 C41 178.7(7) . . . . ?
C30 C29 C42 C41 2.3(12) . . . . ?
C28 N3 C42 C29 0.0(9) . . . . ?
C53 N3 C42 C29 179.3(8) . . . . ?
C28 N3 C42 C41 -177.6(8) . . . . ?
C53 N3 C42 C41 1.6(13) . . . . ?
C40 C41 C42 C29 -179.2(8) . . . . ?
C44 C41 C42 C29 -0.6(11) . . . . ?
C40 C41 C42 N3 -1.9(13) . . . . ?
C44 C41 C42 N3 176.7(7) . . . . ?
C31 C30 C43 C44 -176.1(7) . . . . ?
C29 C30 C43 C44 0.7(11) . . . . ?
C31 C30 C43 C34 1.1(11) . . . . ?
C29 C30 C43 C34 177.9(7) . . . . ?
C33 C34 C43 C30 -0.7(11) . . . . ?
C35 C34 C43 C30 -179.6(7) . . . . ?
C33 C34 C43 C44 176.6(7) . . . . ?
C35 C34 C43 C44 -2.4(11) . . . . ?
C40 C41 C44 C43 177.8(7) . . . . ?
C42 C41 C44 C43 -1.0(11) . . . . ?
C40 C41 C44 C37 0.4(11) . . . . ?
C42 C41 C44 C37 -178.3(7) . . . . ?
C30 C43 C44 C41 0.9(11) . . . . ?
C34 C43 C44 C41 -176.2(7) . . . . ?
C30 C43 C44 C37 178.2(7) . . . . ?
C34 C43 C44 C37 1.1(11) . . . . ?
C38 C37 C44 C41 -1.3(12) . . . . ?
C36 C37 C44 C41 178.4(7) . . . . ?
C38 C37 C44 C43 -178.7(8) . . . . ?
C36 C37 C44 C43 1.0(11) . . . . ?
C33 C32 C45 C47 80.5(12) . . . . ?
C31 C32 C45 C47 -96.0(12) . . . . ?
C33 C32 C45 C46 -42.4(12) . . . . ?
C31 C32 C45 C46 141.0(9) . . . . ?
C33 C32 C45 C48 -160.7(9) . . . . ?
C31 C32 C45 C48 22.7(12) . . . . ?
C38 C39 C49 C51 115.8(12) . . . . ?
C40 C39 C49 C51 -64.8(13) . . . . ?
C38 C39 C49 C52 -122.4(14) . . . . ?
C40 C39 C49 C52 57.0(15) . . . . ?
C38 C39 C49 C50 -1.0(16) . . . . ?
C40 C39 C49 C50 178.4(10) . . . . ?
C69 N5 C55 N6 -2.8(10) . . . . ?
C88 N5 C55 N6 176.9(8) . . . . ?
C69 N5 C55 Rh2 179.1(6) . . . . ?
C88 N5 C55 Rh2 -1.1(12) . . . . ?
C56 N6 C55 N5 2.7(10) . . . . ?
C89 N6 C55 N5 -178.1(8) . . . . ?
C56 N6 C55 Rh2 -179.3(6) . . . . ?
C89 N6 C55 Rh2 0.0(13) . . . . ?
C55 N6 C56 C69 -1.5(10) . . . . ?
C89 N6 C56 C69 179.3(9) . . . . ?
C55 N6 C56 C57 176.1(9) . . . . ?
C89 N6 C56 C57 -3.0(15) . . . . ?
C69 C56 C57 C70 1.0(13) . . . . ?
N6 C56 C57 C70 -176.4(8) . . . . ?
C69 C56 C57 C58 179.6(9) . . . . ?
N6 C56 C57 C58 2.3(15) . . . . ?
C70 C57 C58 C59 -0.8(14) . . . . ?
C56 C57 C58 C59 -179.5(9) . . . . ?
C57 C58 C59 C60 2.5(15) . . . . ?
C57 C58 C59 C80 -176.4(10) . . . . ?
C58 C59 C60 C61 -2.1(16) . . . . ?
C80 C59 C60 C61 176.9(10) . . . . ?
C59 C60 C61 C62 179.7(10) . . . . ?
C59 C60 C61 C70 -0.1(15) . . . . ?
C60 C61 C62 C63 179.9(9) . . . . ?
C70 C61 C62 C63 -0.3(15) . . . . ?
C61 C62 C63 C64 0.3(15) . . . . ?
C62 C63 C64 C65 177.8(9) . . . . ?
C62 C63 C64 C71 -0.3(13) . . . . ?
C63 C64 C65 C66 -179.6(8) . . . . ?
C71 C64 C65 C66 -1.5(13) . . . . ?
C64 C65 C66 C67 1.4(13) . . . . ?
C64 C65 C66 C84 178.2(8) . . . . ?
C65 C66 C67 C68 -0.2(13) . . . . ?
C84 C66 C67 C68 -176.9(8) . . . . ?
C66 C67 C68 C69 176.4(8) . . . . ?
C66 C67 C68 C71 -0.8(13) . . . . ?
N6 C56 C69 N5 -0.2(9) . . . . ?
C57 C56 C69 N5 -178.1(8) . . . . ?
N6 C56 C69 C68 178.1(8) . . . . ?
C57 C56 C69 C68 0.2(13) . . . . ?
C55 N5 C69 C56 1.9(10) . . . . ?
C88 N5 C69 C56 -177.9(8) . . . . ?
C55 N5 C69 C68 -176.2(9) . . . . ?
C88 N5 C69 C68 4.1(15) . . . . ?
C67 C68 C69 C56 -178.7(8) . . . . ?
C71 C68 C69 C56 -1.4(12) . . . . ?
C67 C68 C69 N5 -0.9(15) . . . . ?
C71 C68 C69 N5 176.4(8) . . . . ?
C58 C57 C70 C61 -1.4(13) . . . . ?
C56 C57 C70 C61 177.4(8) . . . . ?
C58 C57 C70 C71 -179.6(8) . . . . ?
C56 C57 C70 C71 -0.9(12) . . . . ?
C62 C61 C70 C57 -178.0(9) . . . . ?
C60 C61 C70 C57 1.8(13) . . . . ?
C62 C61 C70 C71 0.3(13) . . . . ?
C60 C61 C70 C71 -179.9(8) . . . . ?
C57 C70 C71 C68 -0.3(13) . . . . ?
C61 C70 C71 C68 -178.6(8) . . . . ?
C57 C70 C71 C64 177.9(8) . . . . ?
C61 C70 C71 C64 -0.3(12) . . . . ?
C67 C68 C71 C70 179.0(8) . . . . ?
C69 C68 C71 C70 1.4(12) . . . . ?
C67 C68 C71 C64 0.7(11) . . . . ?
C69 C68 C71 C64 -176.9(7) . . . . ?
C65 C64 C71 C70 -177.8(8) . . . . ?
C63 C64 C71 C70 0.3(12) . . . . ?
C65 C64 C71 C68 0.5(12) . . . . ?
C63 C64 C71 C68 178.6(8) . . . . ?
C79 C72 C73 C74 0.7(15) . . . . ?
Rh1 C72 C73 C74 -100.7(9) . . . . ?
C79 C72 C73 Rh1 101.4(10) . . . . ?
C72 C73 C74 C75 46.3(15) . . . . ?
Rh1 C73 C74 C75 -35.6(13) . . . . ?
C73 C74 C75 C76 31.6(18) . . . . ?
C74 C75 C76 C77 -91.2(15) . . . . ?
C74 C75 C76 Rh1 -10.8(16) . . . . ?
C75 C76 C77 C78 5.2(16) . . . . ?
Rh1 C76 C77 C78 -97.6(10) . . . . ?
C75 C76 C77 Rh1 102.9(9) . . . . ?
C76 C77 C78 C79 41.3(18) . . . . ?
Rh1 C77 C78 C79 -39.6(16) . . . . ?
C77 C78 C79 C72 33(2) . . . . ?
C73 C72 C79 C78 -89.1(16) . . . . ?
Rh1 C72 C79 C78 -8.5(17) . . . . ?
C60 C59 C80 C82 -113.0(15) . . . . ?
C58 C59 C80 C82 65.9(16) . . . . ?
C60 C59 C80 C83 7.4(17) . . . . ?
C58 C59 C80 C83 -173.7(11) . . . . ?
C60 C59 C80 C81 128.1(13) . . . . ?
C58 C59 C80 C81 -53.0(16) . . . . ?
C67 C66 C84 C85 -13.4(13) . . . . ?
C65 C66 C84 C85 170.0(9) . . . . ?
C67 C66 C84 C87 -133.3(10) . . . . ?
C65 C66 C84 C87 50.0(12) . . . . ?
C67 C66 C84 C86 106.9(10) . . . . ?
C65 C66 C84 C86 -69.7(11) . . . . ?
C91 N8 C90 N7 2.3(10) . . . . ?
C116 N8 C90 N7 -176.2(9) . . . . ?
C91 N8 C90 Rh2 -179.0(7) . . . . ?
C116 N8 C90 Rh2 2.5(14) . . . . ?
C104 N7 C90 N8 -2.5(10) . . . . ?
C115 N7 C90 N8 174.5(9) . . . . ?
C104 N7 C90 Rh2 178.8(6) . . . . ?
C115 N7 C90 Rh2 -4.2(13) . . . . ?
C90 N8 C91 C104 -1.3(11) . . . . ?
C116 N8 C91 C104 177.2(10) . . . . ?
C90 N8 C91 C92 179.0(10) . . . . ?
C116 N8 C91 C92 -2.6(17) . . . . ?
C104 C91 C92 C93 -175.5(11) . . . . ?
N8 C91 C92 C93 4.2(18) . . . . ?
C104 C91 C92 C105 3.1(14) . . . . ?
N8 C91 C92 C105 -177.3(10) . . . . ?
C91 C92 C93 C94 177.0(11) . . . . ?
C105 C92 C93 C94 -1.5(19) . . . . ?
C92 C93 C94 C95 1(2) . . . . ?
C92 C93 C94 C107 -173.4(16) . . . . ?
C93 C94 C95 C96 1(3) . . . . ?
C107 C94 C95 C96 175.1(18) . . . . ?
C94 C95 C96 C105 -3(2) . . . . ?
C94 C95 C96 C97 176.5(14) . . . . ?
C95 C96 C97 C98 175.8(14) . . . . ?
C105 C96 C97 C98 -4.5(16) . . . . ?
C96 C97 C98 C99 1.6(18) . . . . ?
C97 C98 C99 C100 -175.4(12) . . . . ?
C97 C98 C99 C106 1.0(18) . . . . ?
C98 C99 C100 C101 177.5(13) . . . . ?
C106 C99 C100 C101 1(2) . . . . ?
C99 C100 C101 C102 0(2) . . . . ?
C99 C100 C101 C111 178.6(14) . . . . ?
C100 C101 C102 C103 1(2) . . . . ?
C111 C101 C102 C103 -177.9(14) . . . . ?
C101 C102 C103 C106 -2.5(19) . . . . ?
C101 C102 C103 C104 179.5(11) . . . . ?
N8 C91 C104 N7 -0.3(11) . . . . ?
C92 C91 C104 N7 179.5(9) . . . . ?
N8 C91 C104 C103 178.0(9) . . . . ?
C92 C91 C104 C103 -2.2(16) . . . . ?
C90 N7 C104 C91 1.7(11) . . . . ?
C115 N7 C104 C91 -175.1(9) . . . . ?
C90 N7 C104 C103 -176.5(10) . . . . ?
C115 N7 C104 C103 6.7(16) . . . . ?
C106 C103 C104 C91 -0.8(15) . . . . ?
C102 C103 C104 C91 177.2(11) . . . . ?
C106 C103 C104 N7 177.2(10) . . . . ?
C102 C103 C104 N7 -4.8(18) . . . . ?
C93 C92 C105 C106 177.5(11) . . . . ?
C91 C92 C105 C106 -1.1(15) . . . . ?
C93 C92 C105 C96 -0.3(15) . . . . ?
C91 C92 C105 C96 -178.9(9) . . . . ?
C95 C96 C105 C106 -175.1(13) . . . . ?
C97 C96 C105 C106 5.2(15) . . . . ?
C95 C96 C105 C92 2.6(17) . . . . ?
C97 C96 C105 C92 -177.1(9) . . . . ?
C102 C103 C106 C105 -175.4(11) . . . . ?
C104 C103 C106 C105 2.7(15) . . . . ?
C102 C103 C106 C99 3.4(17) . . . . ?
C104 C103 C106 C99 -178.6(10) . . . . ?
C92 C105 C106 C103 -1.8(17) . . . . ?
C96 C105 C106 C103 175.8(10) . . . . ?
C92 C105 C106 C99 179.4(10) . . . . ?
C96 C105 C106 C99 -3.0(16) . . . . ?
C100 C99 C106 C103 -2.6(17) . . . . ?
C98 C99 C106 C103 -179.2(10) . . . . ?
C100 C99 C106 C105 176.3(11) . . . . ?
C98 C99 C106 C105 -0.3(16) . . . . ?
C95 C94 C107 C109 14(4) . . . . ?
C93 C94 C107 C109 -172(2) . . . . ?
C95 C94 C107 C108 -115(3) . . . . ?
C93 C94 C107 C108 59(3) . . . . ?
C95 C94 C107 C110 124(2) . . . . ?
C93 C94 C107 C110 -61(3) . . . . ?
C100 C101 C111 C114 51(2) . . . . ?
C102 C101 C111 C114 -130.5(19) . . . . ?
C100 C101 C111 C112 173.2(16) . . . . ?
C102 C101 C111 C112 -8(2) . . . . ?
C100 C101 C111 C113 -66(2) . . . . ?
C102 C101 C111 C113 113.2(18) . . . . ?
C124 C117 C118 C119 1.8(16) . . . . ?
Rh2 C117 C118 C119 101.6(9) . . . . ?
C124 C117 C118 Rh2 -99.9(11) . . . . ?
C117 C118 C119 C120 -93.2(14) . . . . ?
Rh2 C118 C119 C120 -14.1(14) . . . . ?
C118 C119 C120 C121 39.3(16) . . . . ?
C119 C120 C121 C122 37.1(16) . . . . ?
C119 C120 C121 Rh2 -42.8(12) . . . . ?
C120 C121 C122 C123 6.3(17) . . . . ?
Rh2 C121 C122 C123 103.2(10) . . . . ?
C120 C121 C122 Rh2 -96.9(10) . . . . ?
C121 C122 C123 C124 -94.8(13) . . . . ?
Rh2 C122 C123 C124 -13.1(13) . . . . ?
C118 C117 C124 C123 40.1(16) . . . . ?
Rh2 C117 C124 C123 -42.5(12) . . . . ?
C122 C123 C124 C117 37.5(15) . . . . ?
