#------------------------------------------------------------------------------
#$Date: 2023-05-05 04:07:41 +0300 (Fri, 05 May 2023) $
#$Revision: 283173 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/86/1568648.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_1568648
loop_
_publ_author_name
'Lapointe, Sébastien'
'Duari, Prakash'
'Gessner, Viktoria H.'
_publ_section_title
;
 Probing the donor strength of yldiide ligands: synthesis, structure and
 reactivity of rhodium complexes with a PCylideN pincer ligand.
;
_journal_issue                   14
_journal_name_full               'Chemical science'
_journal_page_first              3816
_journal_page_last               3825
_journal_paper_doi               10.1039/d2sc06759e
_journal_volume                  14
_journal_year                    2023
_chemical_formula_sum            'C54 H61 I N2 O P3 Rh'
_chemical_formula_weight         1076.76
_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-2018/3
_audit_update_record
;
2022-11-19 deposited with the CCDC.	2023-03-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 110.858(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.42870(10)
_cell_length_b                   25.4664(3)
_cell_length_c                   39.3056(7)
_cell_measurement_reflns_used    52579
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.5590
_cell_measurement_theta_min      2.9540
_cell_volume                     10690.1(3)
_computing_cell_refinement       'CrysAlisPro 1.171.40.20a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.20a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.20a (Rigaku OD, 2018)'
_computing_molecular_graphics    'SHELXLE-2019 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_av_unetI/netI     0.0407
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.962
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       47
_diffrn_reflns_limit_l_min       -47
_diffrn_reflns_number            144407
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.962
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         76.986
_diffrn_reflns_theta_min         2.967
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    8.246
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.737
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.20a (Rigaku Oxford Diffraction, 2018)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.338
_exptl_crystal_description       needle
_exptl_crystal_F_000             4400
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.040
_refine_diff_density_max         1.031
_refine_diff_density_min         -1.603
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1123
_refine_ls_number_reflns         21747
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0711
_refine_ls_R_factor_gt           0.0546
_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)+(0.0780P)²+22.3406P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1455
_refine_ls_wR_factor_ref         0.1559
_reflns_Friedel_coverage         0.000
_reflns_number_gt                16717
_reflns_number_total             21747
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2sc06759e2.cif
_cod_data_source_block           PD-193_autored
_cod_depositor_comments
'Adding full bibliography for 1568644--1568653.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1568648
_shelx_shelxl_version_number     2018/3
_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   0.232
_shelx_estimated_absorpt_t_max   0.734
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
I1 I 0.15355(3) 0.43334(2) 0.61295(2) 0.04405(10) Uani 1 1 d . . . . .
I2 I 0.35253(3) 0.50945(2) 0.87821(2) 0.04711(10) Uani 1 1 d . . . . .
Rh1 Rh -0.07208(3) 0.41011(2) 0.61755(2) 0.03677(10) Uani 1 1 d . . . . .
Rh2 Rh 0.57783(3) 0.53514(2) 0.87438(2) 0.03796(10) Uani 1 1 d . . . . .
P5 P 0.67690(11) 0.62526(5) 0.85039(4) 0.0391(3) Uani 1 1 d . . . . .
P1 P -0.18260(11) 0.43118(5) 0.56094(4) 0.0396(3) Uani 1 1 d . . . . .
P3 P -0.12405(11) 0.48654(5) 0.63912(4) 0.0387(3) Uani 1 1 d . . . . .
P2 P -0.17192(12) 0.32578(5) 0.64725(4) 0.0400(3) Uani 1 1 d . . . . .
P6 P 0.62057(11) 0.46328(5) 0.84615(4) 0.0407(3) Uani 1 1 d . . . . .
P4 P 0.69228(12) 0.50545(5) 0.92881(4) 0.0428(3) Uani 1 1 d . . . . .
O1 O -0.3267(3) 0.41014(14) 0.55475(10) 0.0435(8) Uani 1 1 d . . . . .
O2 O 0.8353(3) 0.52858(15) 0.93620(10) 0.0457(8) Uani 1 1 d . . . . .
N2 N -0.0284(4) 0.34497(16) 0.65948(12) 0.0388(9) Uani 1 1 d . . . . .
N4 N 0.5336(4) 0.60486(16) 0.83652(12) 0.0389(9) Uani 1 1 d . . . . .
N3 N 0.5742(4) 0.40880(18) 0.85600(14) 0.0493(11) Uani 1 1 d . . . . .
N1 N -0.0782(4) 0.53950(17) 0.62731(13) 0.0449(10) Uani 1 1 d . . . . .
C2 C -0.3284(4) 0.3724(2) 0.58046(15) 0.0414(11) Uani 1 1 d . . . . .
C37 C -0.3523(5) 0.5378(2) 0.60420(17) 0.0480(13) Uani 1 1 d . . . . .
H37 H -0.304322 0.562914 0.596925 0.058 Uiso 1 1 calc R U . . .
C11 C -0.2092(5) 0.4982(2) 0.54229(15) 0.0424(12) Uani 1 1 d . . . . .
H11 H -0.190823 0.521896 0.563879 0.051 Uiso 1 1 calc R U . . .
C36 C -0.2927(5) 0.4953(2) 0.62550(15) 0.0425(11) Uani 1 1 d . . . . .
C1 C -0.2302(5) 0.3698(2) 0.61131(15) 0.0408(11) Uani 1 1 d . . . . .
C83 C 0.4320(5) 0.6309(2) 0.81045(15) 0.0418(11) Uani 1 1 d . . . . .
C77 C 0.7507(5) 0.6225(2) 0.81689(15) 0.0419(11) Uani 1 1 d . . . . .
C23 C -0.2014(5) 0.2587(2) 0.63117(15) 0.0437(12) Uani 1 1 d . . . . .
C71 C 0.7015(5) 0.6905(2) 0.87028(15) 0.0421(11) Uani 1 1 d . . . . .
C55 C 0.7351(4) 0.5766(2) 0.88317(15) 0.0392(11) Uani 1 1 d . . . . .
C29 C 0.0739(5) 0.3207(2) 0.68654(15) 0.0454(12) Uani 1 1 d . . . . .
C56 C 0.8362(5) 0.5701(2) 0.91368(15) 0.0418(11) Uani 1 1 d . . . . .
C42 C -0.0657(5) 0.4757(2) 0.68827(16) 0.0441(12) Uani 1 1 d . . . . .
C90 C 0.5580(5) 0.4799(2) 0.79725(16) 0.0445(12) Uani 1 1 d . . . . .
C82 C 0.6841(5) 0.6063(2) 0.78168(16) 0.0465(12) Uani 1 1 d . . . . .
H82 H 0.596705 0.599863 0.774368 0.056 Uiso 1 1 calc R U . . .
C17 C -0.2435(5) 0.3342(2) 0.68114(16) 0.0448(12) Uani 1 1 d . . . . .
C16 C -0.3442(5) 0.5105(2) 0.51804(16) 0.0467(13) Uani 1 1 d . . . . .
H16A H -0.367605 0.489118 0.495578 0.056 Uiso 1 1 calc R U . . .
H16B H -0.401427 0.501364 0.531017 0.056 Uiso 1 1 calc R U . . .
C101 C 0.8603(5) 0.4895(2) 0.84616(16) 0.0449(12) Uani 1 1 d . . . . .
H101 H 0.824920 0.522255 0.836103 0.054 Uiso 1 1 calc R U . . .
C84 C 0.4441(5) 0.6777(2) 0.79357(15) 0.0442(12) Uani 1 1 d . . . . .
H84 H 0.524540 0.692942 0.798968 0.053 Uiso 1 1 calc R U . . .
C96 C 0.7865(5) 0.4521(2) 0.85565(16) 0.0438(12) Uani 1 1 d . . . . .
C102 C 0.4562(5) 0.3862(2) 0.84589(15) 0.0468(12) Uani 1 1 d . . . . .
C59 C 0.7279(5) 0.4365(2) 0.94186(17) 0.0507(13) Uani 1 1 d . . . . .
H59 H 0.708187 0.416802 0.918487 0.061 Uiso 1 1 calc R U . . .
C48 C 0.0411(5) 0.5627(2) 0.63963(16) 0.0435(12) Uani 1 1 d . . . . .
C28 C -0.1478(5) 0.2430(2) 0.60616(16) 0.0478(13) Uani 1 1 d . . . . .
H28 H -0.091717 0.265777 0.600435 0.057 Uiso 1 1 calc R U . . .
C97 C 0.8426(5) 0.4049(2) 0.87135(17) 0.0503(13) Uani 1 1 d . . . . .
H97 H 0.794555 0.379156 0.878015 0.060 Uiso 1 1 calc R U . . .
C95 C 0.4393(5) 0.5010(2) 0.78246(18) 0.0549(14) Uani 1 1 d . . . . .
H95 H 0.394478 0.509448 0.797950 0.066 Uiso 1 1 calc R U . . .
C88 C 0.3120(5) 0.6094(2) 0.80110(15) 0.0433(12) Uani 1 1 d . . . . .
H88 H 0.300262 0.577682 0.812157 0.052 Uiso 1 1 calc R U . . .
C91 C 0.6196(5) 0.4661(2) 0.77397(17) 0.0509(13) Uani 1 1 d . . . . .
H91 H 0.700037 0.450261 0.783601 0.061 Uiso 1 1 calc R U . . .
C12 C -0.1151(5) 0.5138(2) 0.52429(16) 0.0460(12) Uani 1 1 d . . . . .
H12A H -0.028814 0.506929 0.541279 0.055 Uiso 1 1 calc R U . . .
H12B H -0.129764 0.492357 0.502131 0.055 Uiso 1 1 calc R U . . .
C3 C -0.4469(5) 0.3407(2) 0.56817(17) 0.0503(14) Uani 1 1 d . . . . .
H3A H -0.518757 0.364598 0.564356 0.060 Uiso 1 1 calc R U . . .
H3B H -0.444493 0.315843 0.587800 0.060 Uiso 1 1 calc R U . . .
C22 C -0.1722(6) 0.3485(2) 0.71618(17) 0.0497(13) Uani 1 1 d . . . . .
H22 H -0.084627 0.353541 0.722693 0.060 Uiso 1 1 calc R U . . .
C5 C -0.1394(5) 0.3906(2) 0.52853(15) 0.0451(12) Uani 1 1 d . . . . .
H5 H -0.063672 0.407028 0.525822 0.054 Uiso 1 1 calc R U . . .
C78 C 0.8800(5) 0.6314(2) 0.82747(17) 0.0489(13) Uani 1 1 d . . . . .
H78 H 0.926081 0.643039 0.851507 0.059 Uiso 1 1 calc R U . . .
C65 C 0.6512(5) 0.5376(2) 0.96473(16) 0.0475(13) Uani 1 1 d . . . . .
H65 H 0.575641 0.519263 0.966081 0.057 Uiso 1 1 calc R U . . .
C76 C 0.7652(6) 0.7305(2) 0.86028(17) 0.0506(13) Uani 1 1 d . . . . .
H76 H 0.797438 0.724934 0.841372 0.061 Uiso 1 1 calc R U . . .
C34 C 0.1925(5) 0.3429(3) 0.69575(16) 0.0503(14) Uani 1 1 d . . . . .
H34 H 0.203743 0.373905 0.683816 0.060 Uiso 1 1 calc R U . . .
C43 C -0.1330(5) 0.4883(2) 0.71029(17) 0.0491(13) Uani 1 1 d . . . . .
H43 H -0.216178 0.501009 0.699452 0.059 Uiso 1 1 calc R U . . .
C86 C 0.2207(5) 0.6815(2) 0.75944(16) 0.0509(14) Uani 1 1 d . . . . .
C100 C 0.9842(5) 0.4787(2) 0.85142(17) 0.0496(13) Uani 1 1 d . . . . .
H100 H 1.032193 0.503758 0.844089 0.060 Uiso 1 1 calc R U . . .
C26 C -0.2541(6) 0.1605(2) 0.59832(18) 0.0536(14) Uani 1 1 d . . . . .
H26 H -0.273553 0.127297 0.586688 0.064 Uiso 1 1 calc R U . . .
C30 C 0.0634(5) 0.2745(2) 0.70425(15) 0.0466(12) Uani 1 1 d . . . . .
H30 H -0.016190 0.258282 0.698459 0.056 Uiso 1 1 calc R U . . .
C10 C -0.2423(6) 0.3895(2) 0.49048(16) 0.0529(14) Uani 1 1 d . . . . .
H10A H -0.320700 0.375714 0.492401 0.064 Uiso 1 1 calc R U . . .
H10B H -0.258550 0.425672 0.480720 0.064 Uiso 1 1 calc R U . . .
C13 C -0.1299(5) 0.5717(2) 0.51426(16) 0.0475(13) Uani 1 1 d . . . . .
H13A H -0.072329 0.580933 0.501414 0.057 Uiso 1 1 calc R U . . .
H13B H -0.106640 0.593001 0.536749 0.057 Uiso 1 1 calc R U . . .
C15 C -0.3576(5) 0.5686(2) 0.50812(18) 0.0511(14) Uani 1 1 d . . . . .
H15A H -0.342318 0.589800 0.530399 0.061 Uiso 1 1 calc R U . . .
H15B H -0.444065 0.575677 0.491330 0.061 Uiso 1 1 calc R U . . .
C41 C -0.3645(5) 0.4592(2) 0.63653(17) 0.0476(13) Uani 1 1 d . . . . .
H41 H -0.325315 0.430166 0.651337 0.057 Uiso 1 1 calc R U . . .
C70 C 0.6150(6) 0.5956(2) 0.95576(17) 0.0508(13) Uani 1 1 d . . . . .
H70A H 0.688019 0.615109 0.954260 0.061 Uiso 1 1 calc R U . . .
H70B H 0.546743 0.597919 0.931719 0.061 Uiso 1 1 calc R U . . .
C49 C 0.1031(5) 0.5718(2) 0.61534(16) 0.0468(12) Uani 1 1 d . . . . .
H49 H 0.064120 0.562477 0.590445 0.056 Uiso 1 1 calc R U . . .
C81 C 0.7440(6) 0.5994(2) 0.75729(19) 0.0559(15) Uani 1 1 d . . . . .
H81 H 0.697975 0.588590 0.733051 0.067 Uiso 1 1 calc R U . . .
C57 C 0.9552(5) 0.6001(2) 0.92760(16) 0.0501(13) Uani 1 1 d . . . . .
H57A H 0.971424 0.610843 0.953082 0.060 Uiso 1 1 calc R U . . .
H57B H 0.947476 0.632318 0.912848 0.060 Uiso 1 1 calc R U . . .
C38 C -0.4803(5) 0.5439(3) 0.59351(19) 0.0586(16) Uani 1 1 d . . . . .
H38 H -0.519763 0.573126 0.578895 0.070 Uiso 1 1 calc R U . . .
C87 C 0.2101(5) 0.6343(2) 0.77581(16) 0.0499(13) Uani 1 1 d . . . . .
H87 H 0.129922 0.618371 0.769416 0.060 Uiso 1 1 calc R U . . .
C58 C 1.0663(5) 0.5668(2) 0.92595(18) 0.0545(14) Uani 1 1 d . . . . .
H58A H 1.057879 0.561633 0.900476 0.082 Uiso 1 1 calc R U . . .
H58B H 1.066261 0.532630 0.937392 0.082 Uiso 1 1 calc R U . . .
H58C H 1.145043 0.585098 0.938923 0.082 Uiso 1 1 calc R U . . .
C72 C 0.6544(6) 0.7000(2) 0.89760(19) 0.0567(15) Uani 1 1 d . . . . .
H72 H 0.609748 0.673030 0.904494 0.068 Uiso 1 1 calc R U . . .
C60 C 0.8677(5) 0.4253(2) 0.96378(17) 0.0518(14) Uani 1 1 d . . . . .
H60A H 0.920008 0.438390 0.950215 0.062 Uiso 1 1 calc R U . . .
H60B H 0.893509 0.443669 0.987510 0.062 Uiso 1 1 calc R U . . .
C75 C 0.7820(6) 0.7789(2) 0.87797(18) 0.0564(15) Uani 1 1 d . . . . .
H75 H 0.825632 0.806290 0.871123 0.068 Uiso 1 1 calc R U . . .
C25 C -0.3044(6) 0.1750(2) 0.62400(18) 0.0565(15) Uani 1 1 d . . . . .
H25 H -0.356477 0.151099 0.630599 0.068 Uiso 1 1 calc R U . . .
C44 C -0.0817(6) 0.4826(2) 0.74783(17) 0.0542(14) Uani 1 1 d . . . . .
H44 H -0.129469 0.490953 0.762553 0.065 Uiso 1 1 calc R U . . .
C85 C 0.3398(5) 0.7022(2) 0.76898(17) 0.0507(13) Uani 1 1 d . . . . .
H85 H 0.350741 0.734391 0.758282 0.061 Uiso 1 1 calc R U . . .
C18 C -0.3729(5) 0.3282(2) 0.67139(18) 0.0526(14) Uani 1 1 d . . . . .
H18 H -0.422990 0.319468 0.647047 0.063 Uiso 1 1 calc R U . . .
C64 C 0.6401(6) 0.4134(2) 0.9604(2) 0.0579(15) Uani 1 1 d . . . . .
H64A H 0.656111 0.430941 0.984149 0.069 Uiso 1 1 calc R U . . .
H64B H 0.551652 0.419762 0.944920 0.069 Uiso 1 1 calc R U . . .
C24 C -0.2801(6) 0.2236(2) 0.64019(17) 0.0522(14) Uani 1 1 d . . . . .
H24 H -0.316683 0.233445 0.657493 0.063 Uiso 1 1 calc R U . . .
C27 C -0.1754(6) 0.1947(2) 0.58963(18) 0.0541(14) Uani 1 1 d . . . . .
H27 H -0.139899 0.184719 0.572100 0.065 Uiso 1 1 calc R U . . .
C21 C -0.2276(6) 0.3554(2) 0.74203(18) 0.0553(14) Uani 1 1 d . . . . .
H21 H -0.177981 0.365084 0.766220 0.066 Uiso 1 1 calc R U . . .
C74 C 0.7355(6) 0.7870(2) 0.90521(18) 0.0566(15) Uani 1 1 d . . . . .
H74 H 0.747805 0.819877 0.917426 0.068 Uiso 1 1 calc R U . . .
C105 C 0.2210(6) 0.3357(2) 0.82791(18) 0.0548(14) Uani 1 1 d . . . . .
C40 C -0.4941(5) 0.4661(2) 0.62574(18) 0.0527(14) Uani 1 1 d . . . . .
H40 H -0.542720 0.441813 0.633483 0.063 Uiso 1 1 calc R U . . .
C32 C 0.2857(6) 0.2737(3) 0.74019(17) 0.0598(16) Uani 1 1 d . . . . .
C98 C 0.9675(5) 0.3953(3) 0.87726(18) 0.0593(16) Uani 1 1 d . . . . .
H98 H 1.004694 0.363231 0.888275 0.071 Uiso 1 1 calc R U . . .
C6 C -0.1030(5) 0.3351(2) 0.54301(17) 0.0497(13) Uani 1 1 d . . . . .
H6A H -0.033034 0.336830 0.566729 0.060 Uiso 1 1 calc R U . . .
H6B H -0.175063 0.318162 0.546993 0.060 Uiso 1 1 calc R U . . .
C33 C 0.2952(6) 0.3196(3) 0.72255(18) 0.0617(17) Uani 1 1 d . . . . .
H33 H 0.374818 0.336034 0.728893 0.074 Uiso 1 1 calc R U . . .
C47 C 0.0578(5) 0.4591(2) 0.70508(17) 0.0532(14) Uani 1 1 d . . . . .
H47 H 0.106790 0.451368 0.690607 0.064 Uiso 1 1 calc R U . . .
C99 C 1.0391(5) 0.4323(2) 0.86714(18) 0.0543(14) Uani 1 1 d . . . . .
H99 H 1.124639 0.425509 0.871045 0.065 Uiso 1 1 calc R U . . .
C51 C 0.2808(6) 0.6092(2) 0.66286(18) 0.0540(14) Uani 1 1 d . . . . .
C39 C -0.5516(5) 0.5079(2) 0.6039(2) 0.0577(16) Uani 1 1 d . . . . .
H39 H -0.639915 0.511948 0.595996 0.069 Uiso 1 1 calc R U . . .
C31 C 0.1686(6) 0.2517(3) 0.73048(17) 0.0561(15) Uani 1 1 d . . . . .
H31 H 0.158613 0.220069 0.741925 0.067 Uiso 1 1 calc R U . . .
C93 C 0.4476(6) 0.4969(3) 0.72291(19) 0.0597(16) Uani 1 1 d . . . . .
H93 H 0.409378 0.503092 0.697500 0.072 Uiso 1 1 calc R U . . .
C92 C 0.5655(6) 0.4749(2) 0.73664(17) 0.0547(14) Uani 1 1 d . . . . .
H92 H 0.609065 0.465959 0.720896 0.066 Uiso 1 1 calc R U . . .
C14 C -0.2644(5) 0.5847(2) 0.48989(18) 0.0542(15) Uani 1 1 d . . . . .
H14A H -0.284980 0.565952 0.466395 0.065 Uiso 1 1 calc R U . . .
H14B H -0.271679 0.622829 0.484814 0.065 Uiso 1 1 calc R U . . .
C79 C 0.9408(6) 0.6234(3) 0.80316(19) 0.0590(16) Uani 1 1 d . . . . .
H79 H 1.028755 0.628395 0.810565 0.071 Uiso 1 1 calc R U . . .
C94 C 0.3854(6) 0.5098(3) 0.74591(19) 0.0629(17) Uani 1 1 d . . . . .
H94 H 0.304237 0.524976 0.736306 0.076 Uiso 1 1 calc R U . . .
C50 C 0.2208(6) 0.5944(2) 0.62725(17) 0.0523(14) Uani 1 1 d . . . . .
H50 H 0.261408 0.599937 0.610257 0.063 Uiso 1 1 calc R U . . .
C53 C 0.1022(6) 0.5784(2) 0.67543(17) 0.0556(14) Uani 1 1 d . . . . .
H53 H 0.063125 0.572732 0.692796 0.067 Uiso 1 1 calc R U . . .
C46 C 0.1093(6) 0.4536(3) 0.74193(17) 0.0595(16) Uani 1 1 d . . . . .
H46 H 0.193551 0.442106 0.752784 0.071 Uiso 1 1 calc R U . . .
C62 C 0.8019(7) 0.3433(2) 0.98825(19) 0.0644(18) Uani 1 1 d . . . . .
H62A H 0.824145 0.358590 1.012911 0.077 Uiso 1 1 calc R U . . .
H62B H 0.814999 0.304882 0.990905 0.077 Uiso 1 1 calc R U . . .
C4 C -0.4686(6) 0.3099(2) 0.53353(19) 0.0599(16) Uani 1 1 d . . . . .
H4A H -0.463891 0.333670 0.514446 0.090 Uiso 1 1 calc R U . . .
H4B H -0.551598 0.293522 0.525694 0.090 Uiso 1 1 calc R U . . .
H4C H -0.404415 0.282623 0.538003 0.090 Uiso 1 1 calc R U . . .
C80 C 0.8726(6) 0.6082(3) 0.76818(19) 0.0611(17) Uani 1 1 d . . . . .
H80 H 0.913549 0.603594 0.751170 0.073 Uiso 1 1 calc R U . . .
C66 C 0.7542(6) 0.5341(3) 1.00293(17) 0.0566(15) Uani 1 1 d . . . . .
H66A H 0.775679 0.496779 1.009153 0.068 Uiso 1 1 calc R U . . .
H66B H 0.830508 0.552248 1.002683 0.068 Uiso 1 1 calc R U . . .
C61 C 0.8864(6) 0.3661(2) 0.96990(19) 0.0605(16) Uani 1 1 d . . . . .
H61A H 0.869047 0.348466 0.946157 0.073 Uiso 1 1 calc R U . . .
H61B H 0.974713 0.359057 0.985153 0.073 Uiso 1 1 calc R U . . .
C67 C 0.7111(7) 0.5590(3) 1.03177(18) 0.0622(16) Uani 1 1 d . . . . .
H67A H 0.780058 0.557398 1.055718 0.075 Uiso 1 1 calc R U . . .
H67B H 0.639554 0.538761 1.033589 0.075 Uiso 1 1 calc R U . . .
C69 C 0.5723(7) 0.6210(3) 0.98455(18) 0.0608(16) Uani 1 1 d . . . . .
H69A H 0.553482 0.658556 0.978501 0.073 Uiso 1 1 calc R U . . .
H69B H 0.494328 0.603795 0.984318 0.073 Uiso 1 1 calc R U . . .
C7 C -0.0638(6) 0.3022(2) 0.51654(18) 0.0605(16) Uani 1 1 d . . . . .
H7A H -0.043198 0.266096 0.526223 0.073 Uiso 1 1 calc R U . . .
H7B H 0.012055 0.317566 0.513879 0.073 Uiso 1 1 calc R U . . .
C73 C 0.6711(7) 0.7477(2) 0.91492(19) 0.0608(16) Uani 1 1 d . . . . .
H73 H 0.638216 0.753547 0.933643 0.073 Uiso 1 1 calc R U . . .
C45 C 0.0409(6) 0.4646(3) 0.76357(18) 0.0594(15) Uani 1 1 d . . . . .
H45 H 0.077035 0.459879 0.789181 0.071 Uiso 1 1 calc R U . . .
C52 C 0.2196(6) 0.6022(2) 0.68645(19) 0.0591(15) Uani 1 1 d . . . . .
H52 H 0.257432 0.613798 0.710912 0.071 Uiso 1 1 calc R U . . .
C103 C 0.3734(6) 0.3817(3) 0.81126(19) 0.0629(17) Uani 1 1 d . . . . .
H103 H 0.394462 0.396483 0.792006 0.075 Uiso 1 1 calc R U . . .
C63 C 0.6633(7) 0.3546(2) 0.9662(2) 0.0641(17) Uani 1 1 d . . . . .
H63A H 0.639037 0.336822 0.942327 0.077 Uiso 1 1 calc R U . . .
H63B H 0.610731 0.340357 0.979362 0.077 Uiso 1 1 calc R U . . .
C19 C -0.4284(6) 0.3350(3) 0.6975(2) 0.0617(17) Uani 1 1 d . . . . .
H19 H -0.516217 0.330559 0.691114 0.074 Uiso 1 1 calc R U . . .
C104 C 0.2599(6) 0.3565(3) 0.8030(2) 0.0654(17) Uani 1 1 d . . . . .
H104 H 0.207054 0.353942 0.778189 0.079 Uiso 1 1 calc R U . . .
C9 C -0.2043(7) 0.3553(3) 0.46448(18) 0.0618(16) Uani 1 1 d . . . . .
H9A H -0.274438 0.353396 0.440809 0.074 Uiso 1 1 calc R U . . .
H9B H -0.131890 0.371519 0.460250 0.074 Uiso 1 1 calc R U . . .
C68 C 0.6715(7) 0.6165(3) 1.02244(19) 0.0690(18) Uani 1 1 d . . . . .
H68A H 0.638068 0.630719 1.040583 0.083 Uiso 1 1 calc R U . . .
H68B H 0.745611 0.637647 1.023653 0.083 Uiso 1 1 calc R U . . .
C8 C -0.1695(8) 0.3002(3) 0.4794(2) 0.0718(19) Uani 1 1 d . . . . .
H8A H -0.142362 0.279374 0.462251 0.086 Uiso 1 1 calc R U . . .
H8B H -0.243578 0.282814 0.481807 0.086 Uiso 1 1 calc R U . . .
C20 C -0.3558(6) 0.3482(2) 0.7325(2) 0.0603(16) Uani 1 1 d . . . . .
H20 H -0.393433 0.352439 0.750295 0.072 Uiso 1 1 calc R U . . .
C107 C 0.4139(6) 0.3661(3) 0.8728(2) 0.070(2) Uani 1 1 d . . . . .
H107 H 0.465378 0.369538 0.897717 0.084 Uiso 1 1 calc R U . . .
C89 C 0.1093(6) 0.7082(3) 0.73202(19) 0.0652(18) Uani 1 1 d . . . . .
H89A H 0.081735 0.688100 0.709250 0.098 Uiso 1 1 calc R U . . .
H89B H 0.132583 0.743767 0.727397 0.098 Uiso 1 1 calc R U . . .
H89C H 0.040937 0.709989 0.741546 0.098 Uiso 1 1 calc R U . . .
C54 C 0.4144(6) 0.6314(3) 0.6750(2) 0.075(2) Uani 1 1 d . . . . .
H54A H 0.472369 0.603545 0.674085 0.112 Uiso 1 1 calc R U . . .
H54B H 0.438579 0.644575 0.700028 0.112 Uiso 1 1 calc R U . . .
H54C H 0.417463 0.660110 0.658810 0.112 Uiso 1 1 calc R U . . .
C106 C 0.2992(7) 0.3417(3) 0.8638(2) 0.0710(19) Uani 1 1 d . . . . .
H106 H 0.273369 0.328607 0.882602 0.085 Uiso 1 1 calc R U . . .
C35 C 0.3966(7) 0.2495(4) 0.7694(2) 0.083(2) Uani 1 1 d . . . . .
H35A H 0.409143 0.213664 0.762219 0.124 Uiso 1 1 calc R U . . .
H35B H 0.381219 0.248547 0.792333 0.124 Uiso 1 1 calc R U . . .
H35C H 0.471581 0.270488 0.772485 0.124 Uiso 1 1 calc R U . . .
C108 C 0.0954(7) 0.3084(3) 0.8180(2) 0.076(2) Uani 1 1 d . . . . .
H10C H 0.039150 0.329754 0.826221 0.114 Uiso 1 1 calc R U . . .
H10D H 0.107001 0.273969 0.829851 0.114 Uiso 1 1 calc R U . . .
H10E H 0.058852 0.303896 0.791540 0.114 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh 0.0927 3.6045 '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
C1 Rh1 P1 80.44(16) . . ?
C1 Rh1 N2 70.81(18) . . ?
P1 Rh1 N2 144.43(12) . . ?
C1 Rh1 P3 97.98(16) . . ?
P1 Rh1 P3 92.07(5) . . ?
N2 Rh1 P3 111.90(12) . . ?
C1 Rh1 I1 159.20(16) . . ?
P1 Rh1 I1 95.54(4) . . ?
N2 Rh1 I1 103.87(10) . . ?
P3 Rh1 I1 102.58(3) . . ?
C1 Rh1 P2 36.76(15) . . ?
P1 Rh1 P2 115.23(5) . . ?
N2 Rh1 P2 34.10(11) . . ?
P3 Rh1 P2 107.05(4) . . ?
I1 Rh1 P2 135.69(3) . . ?
C55 Rh2 P4 80.09(15) . . ?
C55 Rh2 N4 71.07(18) . . ?
P4 Rh2 N4 145.68(12) . . ?
C55 Rh2 P6 99.92(15) . . ?
P4 Rh2 P6 92.34(5) . . ?
N4 Rh2 P6 110.31(12) . . ?
C55 Rh2 I2 158.07(15) . . ?
P4 Rh2 I2 96.33(4) . . ?
N4 Rh2 I2 103.44(10) . . ?
P6 Rh2 I2 101.85(3) . . ?
C55 Rh2 P5 36.82(15) . . ?
P4 Rh2 P5 115.26(5) . . ?
N4 Rh2 P5 34.28(11) . . ?
P6 Rh2 P5 107.73(5) . . ?
I2 Rh2 P5 134.93(3) . . ?
N4 P5 C55 95.5(2) . . ?
N4 P5 C77 115.1(2) . . ?
C55 P5 C77 111.0(2) . . ?
N4 P5 C71 115.0(2) . . ?
C55 P5 C71 111.9(3) . . ?
C77 P5 C71 108.0(2) . . ?
N4 P5 Rh2 51.80(14) . . ?
C55 P5 Rh2 43.72(16) . . ?
C77 P5 Rh2 123.60(17) . . ?
C71 P5 Rh2 127.61(18) . . ?
O1 P1 C5 102.3(2) . . ?
O1 P1 C11 103.1(2) . . ?
C5 P1 C11 107.0(3) . . ?
O1 P1 Rh1 104.55(14) . . ?
C5 P1 Rh1 111.41(18) . . ?
C11 P1 Rh1 125.69(19) . . ?
N1 P3 C36 103.8(2) . . ?
N1 P3 C42 114.0(2) . . ?
C36 P3 C42 106.2(2) . . ?
N1 P3 Rh1 117.52(19) . . ?
C36 P3 Rh1 112.49(18) . . ?
C42 P3 Rh1 102.65(18) . . ?
N2 P2 C1 95.8(2) . . ?
N2 P2 C17 115.1(3) . . ?
C1 P2 C17 112.3(2) . . ?
N2 P2 C23 115.7(2) . . ?
C1 P2 C23 110.7(3) . . ?
C17 P2 C23 107.0(3) . . ?
N2 P2 Rh1 52.00(14) . . ?
C1 P2 Rh1 43.94(16) . . ?
C17 P2 Rh1 124.14(18) . . ?
C23 P2 Rh1 127.99(18) . . ?
N3 P6 C96 103.2(2) . . ?
N3 P6 C90 114.7(3) . . ?
C96 P6 C90 103.8(3) . . ?
N3 P6 Rh2 115.9(2) . . ?
C96 P6 Rh2 114.44(19) . . ?
C90 P6 Rh2 104.56(18) . . ?
O2 P4 C65 102.3(2) . . ?
O2 P4 C59 100.6(2) . . ?
C65 P4 C59 107.8(3) . . ?
O2 P4 Rh2 104.75(14) . . ?
C65 P4 Rh2 111.57(18) . . ?
C59 P4 Rh2 126.6(2) . . ?
C2 O1 P1 112.5(3) . . ?
C56 O2 P4 113.0(3) . . ?
C29 N2 P2 125.0(4) . . ?
C29 N2 Rh1 141.0(3) . . ?
P2 N2 Rh1 93.90(18) . . ?
C83 N4 P5 124.5(3) . . ?
C83 N4 Rh2 141.5(3) . . ?
P5 N4 Rh2 93.92(19) . . ?
C102 N3 P6 132.1(4) . . ?
C48 N1 P3 130.0(4) . . ?
C1 C2 O1 118.0(4) . . ?
C1 C2 C3 129.7(5) . . ?
O1 C2 C3 112.4(4) . . ?
C38 C37 C36 120.7(5) . . ?
C38 C37 H37 119.7 . . ?
C36 C37 H37 119.7 . . ?
C16 C11 C12 112.1(5) . . ?
C16 C11 P1 115.1(3) . . ?
C12 C11 P1 112.3(4) . . ?
C16 C11 H11 105.4 . . ?
C12 C11 H11 105.4 . . ?
P1 C11 H11 105.4 . . ?
C37 C36 C41 118.8(5) . . ?
C37 C36 P3 120.8(4) . . ?
C41 C36 P3 120.4(4) . . ?
C2 C1 P2 136.8(4) . . ?
C2 C1 Rh1 121.0(4) . . ?
P2 C1 Rh1 99.3(2) . . ?
C84 C83 C88 117.5(5) . . ?
C84 C83 N4 123.5(5) . . ?
C88 C83 N4 118.9(5) . . ?
C82 C77 C78 119.4(5) . . ?
C82 C77 P5 120.5(4) . . ?
C78 C77 P5 119.7(4) . . ?
C28 C23 C24 118.6(5) . . ?
C28 C23 P2 116.5(4) . . ?
C24 C23 P2 124.7(4) . . ?
C72 C71 C76 118.7(5) . . ?
C72 C71 P5 116.8(4) . . ?
C76 C71 P5 124.5(4) . . ?
C56 C55 P5 136.7(4) . . ?
C56 C55 Rh2 121.4(4) . . ?
P5 C55 Rh2 99.5(2) . . ?
C30 C29 C34 117.5(5) . . ?
C30 C29 N2 123.4(5) . . ?
C34 C29 N2 119.1(5) . . ?
C55 C56 O2 117.7(4) . . ?
C55 C56 C57 130.3(5) . . ?
O2 C56 C57 111.9(4) . . ?
C43 C42 C47 117.9(5) . . ?
C43 C42 P3 123.5(4) . . ?
C47 C42 P3 118.3(4) . . ?
C95 C90 C91 118.4(6) . . ?
C95 C90 P6 119.1(5) . . ?
C91 C90 P6 122.0(4) . . ?
C81 C82 C77 120.2(5) . . ?
C81 C82 H82 119.9 . . ?
C77 C82 H82 119.9 . . ?
C22 C17 C18 119.7(5) . . ?
C22 C17 P2 120.4(4) . . ?
C18 C17 P2 119.8(5) . . ?
C15 C16 C11 110.2(4) . . ?
C15 C16 H16A 109.6 . . ?
C11 C16 H16A 109.6 . . ?
C15 C16 H16B 109.6 . . ?
C11 C16 H16B 109.6 . . ?
H16A C16 H16B 108.1 . . ?
C100 C101 C96 120.3(5) . . ?
C100 C101 H101 119.8 . . ?
C96 C101 H101 119.8 . . ?
C85 C84 C83 120.7(5) . . ?
C85 C84 H84 119.7 . . ?
C83 C84 H84 119.7 . . ?
C97 C96 C101 118.3(5) . . ?
C97 C96 P6 120.4(4) . . ?
C101 C96 P6 121.2(4) . . ?
C103 C102 N3 125.5(6) . . ?
C103 C102 C107 114.9(5) . . ?
N3 C102 C107 119.6(5) . . ?
C60 C59 C64 112.3(5) . . ?
C60 C59 P4 114.5(4) . . ?
C64 C59 P4 112.2(4) . . ?
C60 C59 H59 105.6 . . ?
C64 C59 H59 105.6 . . ?
P4 C59 H59 105.6 . . ?
C53 C48 C49 116.7(5) . . ?
C53 C48 N1 123.1(5) . . ?
C49 C48 N1 120.1(5) . . ?
C27 C28 C23 120.6(5) . . ?
C27 C28 H28 119.7 . . ?
C23 C28 H28 119.7 . . ?
C98 C97 C96 120.7(6) . . ?
C98 C97 H97 119.6 . . ?
C96 C97 H97 119.6 . . ?
C94 C95 C90 121.0(6) . . ?
C94 C95 H95 119.5 . . ?
C90 C95 H95 119.5 . . ?
C87 C88 C83 120.4(5) . . ?
C87 C88 H88 119.8 . . ?
C83 C88 H88 119.8 . . ?
C90 C91 C92 121.0(5) . . ?
C90 C91 H91 119.5 . . ?
C92 C91 H91 119.5 . . ?
C13 C12 C11 109.8(5) . . ?
C13 C12 H12A 109.7 . . ?
C11 C12 H12A 109.7 . . ?
C13 C12 H12B 109.7 . . ?
C11 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C2 C3 C4 114.1(5) . . ?
C2 C3 H3A 108.7 . . ?
C4 C3 H3A 108.7 . . ?
C2 C3 H3B 108.7 . . ?
C4 C3 H3B 108.7 . . ?
H3A C3 H3B 107.6 . . ?
C17 C22 C21 120.3(6) . . ?
C17 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C6 C5 C10 110.9(5) . . ?
C6 C5 P1 111.5(4) . . ?
C10 C5 P1 112.5(4) . . ?
C6 C5 H5 107.2 . . ?
C10 C5 H5 107.2 . . ?
P1 C5 H5 107.2 . . ?
C79 C78 C77 120.4(6) . . ?
C79 C78 H78 119.8 . . ?
C77 C78 H78 119.8 . . ?
C70 C65 C66 109.1(5) . . ?
C70 C65 P4 112.0(4) . . ?
C66 C65 P4 114.0(4) . . ?
C70 C65 H65 107.1 . . ?
C66 C65 H65 107.1 . . ?
P4 C65 H65 107.1 . . ?
C71 C76 C75 120.0(6) . . ?
C71 C76 H76 120.0 . . ?
C75 C76 H76 120.0 . . ?
C29 C34 C33 120.1(6) . . ?
C29 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C42 C43 C44 121.5(5) . . ?
C42 C43 H43 119.2 . . ?
C44 C43 H43 119.2 . . ?
C85 C86 C87 116.4(5) . . ?
C85 C86 C89 121.5(6) . . ?
C87 C86 C89 122.1(6) . . ?
C99 C100 C101 121.0(6) . . ?
C99 C100 H100 119.5 . . ?
C101 C100 H100 119.5 . . ?
C25 C26 C27 119.5(6) . . ?
C25 C26 H26 120.3 . . ?
C27 C26 H26 120.3 . . ?
C29 C30 C31 120.9(6) . . ?
C29 C30 H30 119.6 . . ?
C31 C30 H30 119.6 . . ?
C9 C10 C5 111.2(5) . . ?
C9 C10 H10A 109.4 . . ?
C5 C10 H10A 109.4 . . ?
C9 C10 H10B 109.4 . . ?
C5 C10 H10B 109.4 . . ?
H10A C10 H10B 108.0 . . ?
C12 C13 C14 111.5(4) . . ?
C12 C13 H13A 109.3 . . ?
C14 C13 H13A 109.3 . . ?
C12 C13 H13B 109.3 . . ?
C14 C13 H13B 109.3 . . ?
H13A C13 H13B 108.0 . . ?
C16 C15 C14 110.8(5) . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C36 C41 C40 120.0(5) . . ?
C36 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C69 C70 C65 111.5(5) . . ?
C69 C70 H70A 109.3 . . ?
C65 C70 H70A 109.3 . . ?
C69 C70 H70B 109.3 . . ?
C65 C70 H70B 109.3 . . ?
H70A C70 H70B 108.0 . . ?
C50 C49 C48 120.5(5) . . ?
C50 C49 H49 119.7 . . ?
C48 C49 H49 119.7 . . ?
C82 C81 C80 119.8(6) . . ?
C82 C81 H81 120.1 . . ?
C80 C81 H81 120.1 . . ?
C56 C57 C58 111.1(5) . . ?
C56 C57 H57A 109.4 . . ?
C58 C57 H57A 109.4 . . ?
C56 C57 H57B 109.4 . . ?
C58 C57 H57B 109.4 . . ?
H57A C57 H57B 108.0 . . ?
C37 C38 C39 120.6(6) . . ?
C37 C38 H38 119.7 . . ?
C39 C38 H38 119.7 . . ?
C88 C87 C86 122.5(5) . . ?
C88 C87 H87 118.7 . . ?
C86 C87 H87 118.7 . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C73 C72 C71 121.0(6) . . ?
C73 C72 H72 119.5 . . ?
C71 C72 H72 119.5 . . ?
C61 C60 C59 109.2(5) . . ?
C61 C60 H60A 109.8 . . ?
C59 C60 H60A 109.8 . . ?
C61 C60 H60B 109.8 . . ?
C59 C60 H60B 109.8 . . ?
H60A C60 H60B 108.3 . . ?
C74 C75 C76 120.0(6) . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C24 C25 C26 120.8(6) . . ?
C24 C25 H25 119.6 . . ?
C26 C25 H25 119.6 . . ?
C43 C44 C45 118.9(6) . . ?
C43 C44 H44 120.5 . . ?
C45 C44 H44 120.5 . . ?
C86 C85 C84 122.5(6) . . ?
C86 C85 H85 118.8 . . ?
C84 C85 H85 118.8 . . ?
C17 C18 C19 119.8(6) . . ?
C17 C18 H18 120.1 . . ?
C19 C18 H18 120.1 . . ?
C63 C64 C59 109.6(5) . . ?
C63 C64 H64A 109.7 . . ?
C59 C64 H64A 109.7 . . ?
C63 C64 H64B 109.7 . . ?
C59 C64 H64B 109.7 . . ?
H64A C64 H64B 108.2 . . ?
C25 C24 C23 120.0(6) . . ?
C25 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C28 C27 C26 120.5(6) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C22 C21 C20 119.8(6) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C75 C74 C73 120.1(6) . . ?
C75 C74 H74 119.9 . . ?
C73 C74 H74 119.9 . . ?
C104 C105 C106 116.4(6) . . ?
C104 C105 C108 122.1(6) . . ?
C106 C105 C108 121.4(6) . . ?
C39 C40 C41 120.2(5) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C31 C32 C33 116.6(6) . . ?
C31 C32 C35 121.1(7) . . ?
C33 C32 C35 122.2(7) . . ?
C97 C98 C99 120.4(6) . . ?
C97 C98 H98 119.8 . . ?
C99 C98 H98 119.8 . . ?
C7 C6 C5 111.3(5) . . ?
C7 C6 H6A 109.4 . . ?
C5 C6 H6A 109.4 . . ?
C7 C6 H6B 109.4 . . ?
C5 C6 H6B 109.4 . . ?
H6A C6 H6B 108.0 . . ?
C32 C33 C34 122.7(6) . . ?
C32 C33 H33 118.6 . . ?
C34 C33 H33 118.6 . . ?
C46 C47 C42 121.1(6) . . ?
C46 C47 H47 119.5 . . ?
C42 C47 H47 119.5 . . ?
C100 C99 C98 119.2(5) . . ?
C100 C99 H99 120.4 . . ?
C98 C99 H99 120.4 . . ?
C52 C51 C50 117.9(6) . . ?
C52 C51 C54 122.1(6) . . ?
C50 C51 C54 120.0(6) . . ?
C40 C39 C38 119.8(5) . . ?
C40 C39 H39 120.1 . . ?
C38 C39 H39 120.1 . . ?
C32 C31 C30 122.1(6) . . ?
C32 C31 H31 118.9 . . ?
C30 C31 H31 118.9 . . ?
C94 C93 C92 120.1(6) . . ?
C94 C93 H93 119.9 . . ?
C92 C93 H93 119.9 . . ?
C93 C92 C91 118.9(6) . . ?
C93 C92 H92 120.5 . . ?
C91 C92 H92 120.5 . . ?
C13 C14 C15 111.1(5) . . ?
C13 C14 H14A 109.4 . . ?
C15 C14 H14A 109.4 . . ?
C13 C14 H14B 109.4 . . ?
C15 C14 H14B 109.4 . . ?
H14A C14 H14B 108.0 . . ?
C80 C79 C78 119.2(5) . . ?
C80 C79 H79 120.4 . . ?
C78 C79 H79 120.4 . . ?
C95 C94 C93 120.5(6) . . ?
C95 C94 H94 119.8 . . ?
C93 C94 H94 119.8 . . ?
C51 C50 C49 122.1(6) . . ?
C51 C50 H50 118.9 . . ?
C49 C50 H50 118.9 . . ?
C48 C53 C52 121.4(6) . . ?
C48 C53 H53 119.3 . . ?
C52 C53 H53 119.3 . . ?
C47 C46 C45 120.8(6) . . ?
C47 C46 H46 119.6 . . ?
C45 C46 H46 119.6 . . ?
C61 C62 C63 111.4(5) . . ?
C61 C62 H62A 109.4 . . ?
C63 C62 H62A 109.4 . . ?
C61 C62 H62B 109.4 . . ?
C63 C62 H62B 109.4 . . ?
H62A C62 H62B 108.0 . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C79 C80 C81 120.9(6) . . ?
C79 C80 H80 119.6 . . ?
C81 C80 H80 119.6 . . ?
C67 C66 C65 111.2(5) . . ?
C67 C66 H66A 109.4 . . ?
C65 C66 H66A 109.4 . . ?
C67 C66 H66B 109.4 . . ?
C65 C66 H66B 109.4 . . ?
H66A C66 H66B 108.0 . . ?
C62 C61 C60 112.1(5) . . ?
C62 C61 H61A 109.2 . . ?
C60 C61 H61A 109.2 . . ?
C62 C61 H61B 109.2 . . ?
C60 C61 H61B 109.2 . . ?
H61A C61 H61B 107.9 . . ?
C66 C67 C68 111.3(5) . . ?
C66 C67 H67A 109.4 . . ?
C68 C67 H67A 109.4 . . ?
C66 C67 H67B 109.4 . . ?
C68 C67 H67B 109.4 . . ?
H67A C67 H67B 108.0 . . ?
C68 C69 C70 111.7(5) . . ?
C68 C69 H69A 109.3 . . ?
C70 C69 H69A 109.3 . . ?
C68 C69 H69B 109.3 . . ?
C70 C69 H69B 109.3 . . ?
H69A C69 H69B 107.9 . . ?
C6 C7 C8 110.2(6) . . ?
C6 C7 H7A 109.6 . . ?
C8 C7 H7A 109.6 . . ?
C6 C7 H7B 109.6 . . ?
C8 C7 H7B 109.6 . . ?
H7A C7 H7B 108.1 . . ?
C72 C73 C74 120.1(6) . . ?
C72 C73 H73 120.0 . . ?
C74 C73 H73 120.0 . . ?
C46 C45 C44 119.8(6) . . ?
C46 C45 H45 120.1 . . ?
C44 C45 H45 120.1 . . ?
C51 C52 C53 121.2(6) . . ?
C51 C52 H52 119.4 . . ?
C53 C52 H52 119.4 . . ?
C102 C103 C104 122.4(7) . . ?
C102 C103 H103 118.8 . . ?
C104 C103 H103 118.8 . . ?
C64 C63 C62 111.0(6) . . ?
C64 C63 H63A 109.4 . . ?
C62 C63 H63A 109.4 . . ?
C64 C63 H63B 109.4 . . ?
C62 C63 H63B 109.4 . . ?
H63A C63 H63B 108.0 . . ?
C20 C19 C18 119.7(6) . . ?
C20 C19 H19 120.1 . . ?
C18 C19 H19 120.1 . . ?
C105 C104 C103 123.3(7) . . ?
C105 C104 H104 118.3 . . ?
C103 C104 H104 118.3 . . ?
C8 C9 C10 111.6(6) . . ?
C8 C9 H9A 109.3 . . ?
C10 C9 H9A 109.3 . . ?
C8 C9 H9B 109.3 . . ?
C10 C9 H9B 109.3 . . ?
H9A C9 H9B 108.0 . . ?
C69 C68 C67 111.0(6) . . ?
C69 C68 H68A 109.4 . . ?
C67 C68 H68A 109.4 . . ?
C69 C68 H68B 109.4 . . ?
C67 C68 H68B 109.4 . . ?
H68A C68 H68B 108.0 . . ?
C9 C8 C7 110.4(6) . . ?
C9 C8 H8A 109.6 . . ?
C7 C8 H8A 109.6 . . ?
C9 C8 H8B 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
C19 C20 C21 120.6(6) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C106 C107 C102 121.3(7) . . ?
C106 C107 H107 119.3 . . ?
C102 C107 H107 119.3 . . ?
C86 C89 H89A 109.5 . . ?
C86 C89 H89B 109.5 . . ?
H89A C89 H89B 109.5 . . ?
C86 C89 H89C 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
C51 C54 H54A 109.5 . . ?
C51 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C51 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C107 C106 C105 121.5(7) . . ?
C107 C106 H106 119.2 . . ?
C105 C106 H106 119.2 . . ?
C32 C35 H35A 109.5 . . ?
C32 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C32 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C105 C108 H10C 109.5 . . ?
C105 C108 H10D 109.5 . . ?
H10C C108 H10D 109.5 . . ?
C105 C108 H10E 109.5 . . ?
H10C C108 H10E 109.5 . . ?
H10D C108 H10E 109.5 . . ?
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
I1 Rh1 2.7136(5) . ?
I2 Rh2 2.7123(5) . ?
Rh1 C1 2.017(5) . ?
Rh1 P1 2.1983(14) . ?
Rh1 N2 2.265(4) . ?
Rh1 P3 2.2846(14) . ?
Rh1 P2 2.8681(13) . ?
Rh2 C55 2.006(5) . ?
Rh2 P4 2.2062(14) . ?
Rh2 N4 2.255(4) . ?
Rh2 P6 2.2814(14) . ?
Rh2 P5 2.8632(13) . ?
P5 N4 1.616(4) . ?
P5 C55 1.740(5) . ?
P5 C77 1.800(6) . ?
P5 C71 1.814(6) . ?
P1 O1 1.665(4) . ?
P1 C5 1.839(6) . ?
P1 C11 1.841(5) . ?
P3 N1 1.576(4) . ?
P3 C36 1.821(5) . ?
P3 C42 1.826(6) . ?
P2 N2 1.612(4) . ?
P2 C1 1.739(5) . ?
P2 C17 1.807(6) . ?
P2 C23 1.810(6) . ?
P6 N3 1.581(5) . ?
P6 C96 1.820(5) . ?
P6 C90 1.846(6) . ?
P4 O2 1.663(4) . ?
P4 C65 1.833(6) . ?
P4 C59 1.833(6) . ?
O1 C2 1.399(6) . ?
O2 C56 1.381(6) . ?
N2 C29 1.413(6) . ?
N4 C83 1.411(6) . ?
N3 C102 1.389(7) . ?
N1 C48 1.403(7) . ?
C2 C1 1.329(7) . ?
C2 C3 1.502(7) . ?
C37 C38 1.380(8) . ?
C37 C36 1.390(8) . ?
C37 H37 0.9500 . ?
C11 C16 1.529(7) . ?
C11 C12 1.534(7) . ?
C11 H11 1.0000 . ?
C36 C41 1.398(7) . ?
C83 C84 1.394(8) . ?
C83 C88 1.399(7) . ?
C77 C82 1.385(8) . ?
C77 C78 1.404(7) . ?
C23 C28 1.389(8) . ?
C23 C24 1.400(7) . ?
C71 C72 1.383(8) . ?
C71 C76 1.389(7) . ?
C55 C56 1.347(7) . ?
C29 C30 1.393(8) . ?
C29 C34 1.393(8) . ?
C56 C57 1.484(7) . ?
C42 C43 1.384(8) . ?
C42 C47 1.395(7) . ?
C90 C95 1.379(8) . ?
C90 C91 1.384(8) . ?
C82 C81 1.373(8) . ?
C82 H82 0.9500 . ?
C17 C22 1.376(8) . ?
C17 C18 1.397(8) . ?
C16 C15 1.523(8) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C101 C100 1.383(7) . ?
C101 C96 1.408(8) . ?
C101 H101 0.9500 . ?
C84 C85 1.387(8) . ?
C84 H84 0.9500 . ?
C96 C97 1.398(8) . ?
C102 C103 1.358(8) . ?
C102 C107 1.406(9) . ?
C59 C60 1.548(8) . ?
C59 C64 1.552(8) . ?
C59 H59 1.0000 . ?
C48 C53 1.389(8) . ?
C48 C49 1.396(8) . ?
C28 C27 1.374(8) . ?
C28 H28 0.9500 . ?
C97 C98 1.383(8) . ?
C97 H97 0.9500 . ?
C95 C94 1.365(9) . ?
C95 H95 0.9500 . ?
C88 C87 1.385(7) . ?
C88 H88 0.9500 . ?
C91 C92 1.393(8) . ?
C91 H91 0.9500 . ?
C12 C13 1.520(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C3 C4 1.513(9) . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C22 C21 1.386(8) . ?
C22 H22 0.9500 . ?
C5 C6 1.526(8) . ?
C5 C10 1.539(8) . ?
C5 H5 1.0000 . ?
C78 C79 1.382(8) . ?
C78 H78 0.9500 . ?
C65 C70 1.540(8) . ?
C65 C66 1.546(8) . ?
C65 H65 1.0000 . ?
C76 C75 1.395(8) . ?
C76 H76 0.9500 . ?
C34 C33 1.399(8) . ?
C34 H34 0.9500 . ?
C43 C44 1.387(9) . ?
C43 H43 0.9500 . ?
C86 C85 1.382(8) . ?
C86 C87 1.390(8) . ?
C86 C89 1.506(8) . ?
C100 C99 1.378(9) . ?
C100 H100 0.9500 . ?
C26 C25 1.378(9) . ?
C26 C27 1.379(8) . ?
C26 H26 0.9500 . ?
C30 C31 1.401(8) . ?
C30 H30 0.9500 . ?
C10 C9 1.519(9) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C13 C14 1.530(8) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C15 C14 1.537(8) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C41 C40 1.399(7) . ?
C41 H41 0.9500 . ?
C70 C69 1.527(9) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C49 C50 1.382(8) . ?
C49 H49 0.9500 . ?
C81 C80 1.395(8) . ?
C81 H81 0.9500 . ?
C57 C58 1.547(8) . ?
C57 H57A 0.9900 . ?
C57 H57B 0.9900 . ?
C38 C39 1.381(9) . ?
C38 H38 0.9500 . ?
C87 H87 0.9500 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C72 C73 1.373(9) . ?
C72 H72 0.9500 . ?
C60 C61 1.530(8) . ?
C60 H60A 0.9900 . ?
C60 H60B 0.9900 . ?
C75 C74 1.370(9) . ?
C75 H75 0.9500 . ?
C25 C24 1.375(9) . ?
C25 H25 0.9500 . ?
C44 C45 1.393(9) . ?
C44 H44 0.9500 . ?
C85 H85 0.9500 . ?
C18 C19 1.398(8) . ?
C18 H18 0.9500 . ?
C64 C63 1.524(8) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C24 H24 0.9500 . ?
C27 H27 0.9500 . ?
C21 C20 1.390(9) . ?
C21 H21 0.9500 . ?
C74 C73 1.375(9) . ?
C74 H74 0.9500 . ?
C105 C104 1.321(9) . ?
C105 C106 1.382(9) . ?
C105 C108 1.516(9) . ?
C40 C39 1.380(9) . ?
C40 H40 0.9500 . ?
C32 C31 1.374(10) . ?
C32 C33 1.383(10) . ?
C32 C35 1.505(8) . ?
C98 C99 1.396(9) . ?
C98 H98 0.9500 . ?
C6 C7 1.523(9) . ?
C6 H6A 0.9900 . ?
C6 H6B 0.9900 . ?
C33 H33 0.9500 . ?
C47 C46 1.362(9) . ?
C47 H47 0.9500 . ?
C99 H99 0.9500 . ?
C51 C52 1.358(9) . ?
C51 C50 1.374(9) . ?
C51 C54 1.535(8) . ?
C39 H39 0.9500 . ?
C31 H31 0.9500 . ?
C93 C94 1.375(10) . ?
C93 C92 1.379(9) . ?
C93 H93 0.9500 . ?
C92 H92 0.9500 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C79 C80 1.373(9) . ?
C79 H79 0.9500 . ?
C94 H94 0.9500 . ?
C50 H50 0.9500 . ?
C53 C52 1.394(8) . ?
C53 H53 0.9500 . ?
C46 C45 1.374(9) . ?
C46 H46 0.9500 . ?
C62 C61 1.511(10) . ?
C62 C63 1.538(9) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C80 H80 0.9500 . ?
C66 C67 1.525(9) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C67 C68 1.539(10) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C69 C68 1.522(10) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C7 C8 1.529(10) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C73 H73 0.9500 . ?
C45 H45 0.9500 . ?
C52 H52 0.9500 . ?
C103 C104 1.378(9) . ?
C103 H103 0.9500 . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C19 C20 1.368(10) . ?
C19 H19 0.9500 . ?
C104 H104 0.9500 . ?
C9 C8 1.518(10) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C20 H20 0.9500 . ?
C107 C106 1.378(9) . ?
C107 H107 0.9500 . ?
C89 H89A 0.9800 . ?
C89 H89B 0.9800 . ?
C89 H89C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C106 H106 0.9500 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C108 H10C 0.9800 . ?
C108 H10D 0.9800 . ?
C108 H10E 0.9800 . ?
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
C5 P1 O1 C2 97.0(4) . . . . ?
C11 P1 O1 C2 -152.1(4) . . . . ?
Rh1 P1 O1 C2 -19.3(4) . . . . ?
C65 P4 O2 C56 -98.3(4) . . . . ?
C59 P4 O2 C56 150.7(4) . . . . ?
Rh2 P4 O2 C56 18.2(4) . . . . ?
C1 P2 N2 C29 -173.8(5) . . . . ?
C17 P2 N2 C29 68.2(5) . . . . ?
C23 P2 N2 C29 -57.5(5) . . . . ?
Rh1 P2 N2 C29 -176.9(5) . . . . ?
C1 P2 N2 Rh1 3.1(2) . . . . ?
C17 P2 N2 Rh1 -114.9(2) . . . . ?
C23 P2 N2 Rh1 119.4(2) . . . . ?
C55 P5 N4 C83 175.3(5) . . . . ?
C77 P5 N4 C83 -68.4(5) . . . . ?
C71 P5 N4 C83 58.0(5) . . . . ?
Rh2 P5 N4 C83 177.4(5) . . . . ?
C55 P5 N4 Rh2 -2.1(2) . . . . ?
C77 P5 N4 Rh2 114.2(2) . . . . ?
C71 P5 N4 Rh2 -119.4(2) . . . . ?
C96 P6 N3 C102 -159.3(6) . . . . ?
C90 P6 N3 C102 -47.2(7) . . . . ?
Rh2 P6 N3 C102 74.8(6) . . . . ?
C36 P3 N1 C48 158.7(5) . . . . ?
C42 P3 N1 C48 43.7(6) . . . . ?
Rh1 P3 N1 C48 -76.4(5) . . . . ?
P1 O1 C2 C1 20.0(6) . . . . ?
P1 O1 C2 C3 -160.7(4) . . . . ?
O1 P1 C11 C16 -16.2(5) . . . . ?
C5 P1 C11 C16 91.3(5) . . . . ?
Rh1 P1 C11 C16 -135.2(4) . . . . ?
O1 P1 C11 C12 -146.2(4) . . . . ?
C5 P1 C11 C12 -38.7(5) . . . . ?
Rh1 P1 C11 C12 94.9(4) . . . . ?
C38 C37 C36 C41 -1.2(9) . . . . ?
C38 C37 C36 P3 179.1(5) . . . . ?
N1 P3 C36 C37 9.4(6) . . . . ?
C42 P3 C36 C37 129.8(5) . . . . ?
Rh1 P3 C36 C37 -118.7(5) . . . . ?
N1 P3 C36 C41 -170.3(5) . . . . ?
C42 P3 C36 C41 -49.9(5) . . . . ?
Rh1 P3 C36 C41 61.7(5) . . . . ?
O1 C2 C1 P2 -166.1(4) . . . . ?
C3 C2 C1 P2 14.7(11) . . . . ?
O1 C2 C1 Rh1 -10.0(7) . . . . ?
C3 C2 C1 Rh1 170.8(5) . . . . ?
N2 P2 C1 C2 155.9(6) . . . . ?
C17 P2 C1 C2 -84.0(7) . . . . ?
C23 P2 C1 C2 35.6(7) . . . . ?
Rh1 P2 C1 C2 159.3(8) . . . . ?
N2 P2 C1 Rh1 -3.5(3) . . . . ?
C17 P2 C1 Rh1 116.7(3) . . . . ?
C23 P2 C1 Rh1 -123.7(2) . . . . ?
P5 N4 C83 C84 0.0(8) . . . . ?
Rh2 N4 C83 C84 175.8(4) . . . . ?
P5 N4 C83 C88 -179.2(4) . . . . ?
Rh2 N4 C83 C88 -3.4(9) . . . . ?
N4 P5 C77 C82 2.9(5) . . . . ?
C55 P5 C77 C82 109.9(5) . . . . ?
C71 P5 C77 C82 -127.0(5) . . . . ?
Rh2 P5 C77 C82 62.3(5) . . . . ?
N4 P5 C77 C78 -170.1(4) . . . . ?
C55 P5 C77 C78 -63.1(5) . . . . ?
C71 P5 C77 C78 60.0(5) . . . . ?
Rh2 P5 C77 C78 -110.7(4) . . . . ?
N2 P2 C23 C28 -46.8(5) . . . . ?
C1 P2 C23 C28 60.8(5) . . . . ?
C17 P2 C23 C28 -176.5(4) . . . . ?
Rh1 P2 C23 C28 13.7(5) . . . . ?
N2 P2 C23 C24 137.8(5) . . . . ?
C1 P2 C23 C24 -114.6(5) . . . . ?
C17 P2 C23 C24 8.0(6) . . . . ?
Rh1 P2 C23 C24 -161.7(4) . . . . ?
N4 P5 C71 C72 51.8(5) . . . . ?
C55 P5 C71 C72 -55.7(5) . . . . ?
C77 P5 C71 C72 -178.2(5) . . . . ?
Rh2 P5 C71 C72 -8.0(6) . . . . ?
N4 P5 C71 C76 -129.2(5) . . . . ?
C55 P5 C71 C76 123.3(5) . . . . ?
C77 P5 C71 C76 0.8(6) . . . . ?
Rh2 P5 C71 C76 171.0(4) . . . . ?
N4 P5 C55 C56 -158.7(6) . . . . ?
C77 P5 C55 C56 81.7(7) . . . . ?
C71 P5 C55 C56 -39.0(7) . . . . ?
Rh2 P5 C55 C56 -161.2(8) . . . . ?
N4 P5 C55 Rh2 2.4(3) . . . . ?
C77 P5 C55 Rh2 -117.1(2) . . . . ?
C71 P5 C55 Rh2 122.1(2) . . . . ?
P2 N2 C29 C30 4.6(8) . . . . ?
Rh1 N2 C29 C30 -170.4(4) . . . . ?
P2 N2 C29 C34 -176.8(4) . . . . ?
Rh1 N2 C29 C34 8.1(9) . . . . ?
P5 C55 C56 O2 167.6(4) . . . . ?
Rh2 C55 C56 O2 9.5(7) . . . . ?
P5 C55 C56 C57 -14.2(10) . . . . ?
Rh2 C55 C56 C57 -172.3(5) . . . . ?
P4 O2 C56 C55 -18.8(6) . . . . ?
P4 O2 C56 C57 162.7(4) . . . . ?
N1 P3 C42 C43 96.1(5) . . . . ?
C36 P3 C42 C43 -17.5(5) . . . . ?
Rh1 P3 C42 C43 -135.8(4) . . . . ?
N1 P3 C42 C47 -77.1(5) . . . . ?
C36 P3 C42 C47 169.3(5) . . . . ?
Rh1 P3 C42 C47 51.0(5) . . . . ?
N3 P6 C90 C95 81.0(5) . . . . ?
C96 P6 C90 C95 -167.2(4) . . . . ?
Rh2 P6 C90 C95 -46.9(5) . . . . ?
N3 P6 C90 C91 -90.7(5) . . . . ?
C96 P6 C90 C91 21.0(5) . . . . ?
Rh2 P6 C90 C91 141.3(4) . . . . ?
C78 C77 C82 C81 -0.6(8) . . . . ?
P5 C77 C82 C81 -173.6(5) . . . . ?
N2 P2 C17 C22 -9.4(5) . . . . ?
C1 P2 C17 C22 -117.7(5) . . . . ?
C23 P2 C17 C22 120.6(5) . . . . ?
Rh1 P2 C17 C22 -69.2(5) . . . . ?
N2 P2 C17 C18 168.2(4) . . . . ?
C1 P2 C17 C18 59.9(5) . . . . ?
C23 P2 C17 C18 -61.8(5) . . . . ?
Rh1 P2 C17 C18 108.4(4) . . . . ?
C12 C11 C16 C15 -56.9(7) . . . . ?
P1 C11 C16 C15 173.1(4) . . . . ?
C88 C83 C84 C85 1.2(8) . . . . ?
N4 C83 C84 C85 -178.0(5) . . . . ?
C100 C101 C96 C97 1.8(9) . . . . ?
C100 C101 C96 P6 -175.7(4) . . . . ?
N3 P6 C96 C97 -5.3(6) . . . . ?
C90 P6 C96 C97 -125.2(5) . . . . ?
Rh2 P6 C96 C97 121.5(5) . . . . ?
N3 P6 C96 C101 172.1(5) . . . . ?
C90 P6 C96 C101 52.2(5) . . . . ?
Rh2 P6 C96 C101 -61.1(5) . . . . ?
P6 N3 C102 C103 50.3(9) . . . . ?
P6 N3 C102 C107 -129.0(6) . . . . ?
O2 P4 C59 C60 15.1(5) . . . . ?
C65 P4 C59 C60 -91.6(5) . . . . ?
Rh2 P4 C59 C60 132.5(4) . . . . ?
O2 P4 C59 C64 144.7(4) . . . . ?
C65 P4 C59 C64 38.1(5) . . . . ?
Rh2 P4 C59 C64 -97.8(5) . . . . ?
P3 N1 C48 C53 -61.8(8) . . . . ?
P3 N1 C48 C49 119.4(6) . . . . ?
C24 C23 C28 C27 2.4(9) . . . . ?
P2 C23 C28 C27 -173.3(5) . . . . ?
C101 C96 C97 C98 -0.2(9) . . . . ?
P6 C96 C97 C98 177.3(5) . . . . ?
C91 C90 C95 C94 -2.4(9) . . . . ?
P6 C90 C95 C94 -174.5(5) . . . . ?
C84 C83 C88 C87 0.3(8) . . . . ?
N4 C83 C88 C87 179.5(5) . . . . ?
C95 C90 C91 C92 2.4(8) . . . . ?
P6 C90 C91 C92 174.3(4) . . . . ?
C16 C11 C12 C13 56.5(6) . . . . ?
P1 C11 C12 C13 -172.1(4) . . . . ?
C1 C2 C3 C4 -119.8(7) . . . . ?
O1 C2 C3 C4 61.0(6) . . . . ?
C18 C17 C22 C21 1.8(8) . . . . ?
P2 C17 C22 C21 179.4(4) . . . . ?
O1 P1 C5 C6 -77.4(4) . . . . ?
C11 P1 C5 C6 174.6(4) . . . . ?
Rh1 P1 C5 C6 33.8(4) . . . . ?
O1 P1 C5 C10 48.0(4) . . . . ?
C11 P1 C5 C10 -60.0(4) . . . . ?
Rh1 P1 C5 C10 159.2(3) . . . . ?
C82 C77 C78 C79 -0.8(9) . . . . ?
P5 C77 C78 C79 172.3(5) . . . . ?
O2 P4 C65 C70 76.5(4) . . . . ?
C59 P4 C65 C70 -178.1(4) . . . . ?
Rh2 P4 C65 C70 -35.0(5) . . . . ?
O2 P4 C65 C66 -48.0(4) . . . . ?
C59 P4 C65 C66 57.4(5) . . . . ?
Rh2 P4 C65 C66 -159.5(4) . . . . ?
C72 C71 C76 C75 0.7(9) . . . . ?
P5 C71 C76 C75 -178.3(5) . . . . ?
C30 C29 C34 C33 -1.5(9) . . . . ?
N2 C29 C34 C33 179.8(5) . . . . ?
C47 C42 C43 C44 -2.4(8) . . . . ?
P3 C42 C43 C44 -175.6(5) . . . . ?
C96 C101 C100 C99 -2.3(9) . . . . ?
C34 C29 C30 C31 0.4(8) . . . . ?
N2 C29 C30 C31 179.0(5) . . . . ?
C6 C5 C10 C9 -53.8(6) . . . . ?
P1 C5 C10 C9 -179.5(4) . . . . ?
C11 C12 C13 C14 -55.8(7) . . . . ?
C11 C16 C15 C14 56.0(7) . . . . ?
C37 C36 C41 C40 0.8(9) . . . . ?
P3 C36 C41 C40 -179.6(5) . . . . ?
C66 C65 C70 C69 -56.8(7) . . . . ?
P4 C65 C70 C69 176.0(4) . . . . ?
C53 C48 C49 C50 1.4(8) . . . . ?
N1 C48 C49 C50 -179.8(5) . . . . ?
C77 C82 C81 C80 0.7(9) . . . . ?
C55 C56 C57 C58 -110.9(7) . . . . ?
O2 C56 C57 C58 67.3(6) . . . . ?
C36 C37 C38 C39 0.2(10) . . . . ?
C83 C88 C87 C86 -1.8(9) . . . . ?
C85 C86 C87 C88 1.7(9) . . . . ?
C89 C86 C87 C88 -179.9(6) . . . . ?
C76 C71 C72 C73 -0.7(9) . . . . ?
P5 C71 C72 C73 178.3(5) . . . . ?
C64 C59 C60 C61 55.5(7) . . . . ?
P4 C59 C60 C61 -175.0(5) . . . . ?
C71 C76 C75 C74 0.0(10) . . . . ?
C27 C26 C25 C24 2.0(10) . . . . ?
C42 C43 C44 C45 0.8(9) . . . . ?
C87 C86 C85 C84 -0.2(9) . . . . ?
C89 C86 C85 C84 -178.6(6) . . . . ?
C83 C84 C85 C86 -1.3(9) . . . . ?
C22 C17 C18 C19 -2.0(9) . . . . ?
P2 C17 C18 C19 -179.6(5) . . . . ?
C60 C59 C64 C63 -56.3(7) . . . . ?
P4 C59 C64 C63 172.9(5) . . . . ?
C26 C25 C24 C23 -1.3(10) . . . . ?
C28 C23 C24 C25 -0.9(9) . . . . ?
P2 C23 C24 C25 174.4(5) . . . . ?
C23 C28 C27 C26 -1.7(9) . . . . ?
C25 C26 C27 C28 -0.6(10) . . . . ?
C17 C22 C21 C20 -0.3(9) . . . . ?
C76 C75 C74 C73 -0.7(10) . . . . ?
C36 C41 C40 C39 0.8(10) . . . . ?
C96 C97 C98 C99 -0.9(10) . . . . ?
C10 C5 C6 C7 55.3(6) . . . . ?
P1 C5 C6 C7 -178.4(4) . . . . ?
C31 C32 C33 C34 -0.8(10) . . . . ?
C35 C32 C33 C34 -179.1(7) . . . . ?
C29 C34 C33 C32 1.8(10) . . . . ?
C43 C42 C47 C46 2.1(9) . . . . ?
P3 C42 C47 C46 175.7(5) . . . . ?
C101 C100 C99 C98 1.1(10) . . . . ?
C97 C98 C99 C100 0.5(10) . . . . ?
C41 C40 C39 C38 -1.8(10) . . . . ?
C37 C38 C39 C40 1.4(11) . . . . ?
C33 C32 C31 C30 -0.4(10) . . . . ?
C35 C32 C31 C30 177.9(6) . . . . ?
C29 C30 C31 C32 0.6(9) . . . . ?
C94 C93 C92 C91 0.1(9) . . . . ?
C90 C91 C92 C93 -1.3(9) . . . . ?
C12 C13 C14 C15 56.5(7) . . . . ?
C16 C15 C14 C13 -56.2(7) . . . . ?
C77 C78 C79 C80 2.0(10) . . . . ?
C90 C95 C94 C93 1.3(10) . . . . ?
C92 C93 C94 C95 -0.1(10) . . . . ?
C52 C51 C50 C49 -1.6(9) . . . . ?
C54 C51 C50 C49 176.6(6) . . . . ?
C48 C49 C50 C51 -0.7(9) . . . . ?
C49 C48 C53 C52 0.1(9) . . . . ?
N1 C48 C53 C52 -178.7(6) . . . . ?
C42 C47 C46 C45 -0.2(10) . . . . ?
C78 C79 C80 C81 -1.8(11) . . . . ?
C82 C81 C80 C79 0.4(10) . . . . ?
C70 C65 C66 C67 57.1(7) . . . . ?
P4 C65 C66 C67 -176.9(4) . . . . ?
C63 C62 C61 C60 57.1(7) . . . . ?
C59 C60 C61 C62 -55.6(7) . . . . ?
C65 C66 C67 C68 -56.8(8) . . . . ?
C65 C70 C69 C68 56.4(7) . . . . ?
C5 C6 C7 C8 -57.6(7) . . . . ?
C71 C72 C73 C74 0.0(11) . . . . ?
C75 C74 C73 C72 0.7(11) . . . . ?
C47 C46 C45 C44 -1.5(11) . . . . ?
C43 C44 C45 C46 1.1(10) . . . . ?
C50 C51 C52 C53 3.2(10) . . . . ?
C54 C51 C52 C53 -175.0(6) . . . . ?
C48 C53 C52 C51 -2.5(10) . . . . ?
N3 C102 C103 C104 176.8(6) . . . . ?
C107 C102 C103 C104 -3.9(10) . . . . ?
C59 C64 C63 C62 55.8(8) . . . . ?
C61 C62 C63 C64 -57.1(8) . . . . ?
C17 C18 C19 C20 0.8(9) . . . . ?
C106 C105 C104 C103 1.8(11) . . . . ?
C108 C105 C104 C103 179.8(7) . . . . ?
C102 C103 C104 C105 1.5(12) . . . . ?
C5 C10 C9 C8 55.1(7) . . . . ?
C70 C69 C68 C67 -54.5(8) . . . . ?
C66 C67 C68 C69 54.8(8) . . . . ?
C10 C9 C8 C7 -57.3(8) . . . . ?
C6 C7 C8 C9 58.0(8) . . . . ?
C18 C19 C20 C21 0.7(10) . . . . ?
C22 C21 C20 C19 -1.0(10) . . . . ?
C103 C102 C107 C106 3.1(11) . . . . ?
N3 C102 C107 C106 -177.6(7) . . . . ?
C102 C107 C106 C105 0.1(12) . . . . ?
C104 C105 C106 C107 -2.5(11) . . . . ?
C108 C105 C106 C107 179.5(7) . . . . ?
