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#$Date: 2023-10-11 01:55:58 +0300 (Wed, 11 Oct 2023) $
#$Revision: 286882 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/41/7714177.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_7714177
loop_
_publ_author_name
'Paskaruk, Katia M.'
'Emslie, David J. H.'
'Britten, James F.'
_publ_section_title
;
 A comparison of the coordination behaviour of
 R₂PCH₂BMe₂ (R = Me vs. Ph)
 ambiphilic ligands with late transition metals.
;
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_paper_doi               10.1039/d3dt02538a
_journal_year                    2023
_chemical_formula_moiety         'C45 H54 B3 Cl P3 Rh'
_chemical_formula_sum            'C45 H54 B3 Cl P3 Rh'
_chemical_formula_weight         858.58
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2023-07-17
_audit_creation_method
;
Olex2 1.5
(compiled 2023.03.06 svn.rbb2c1857 for OlexSys, GUI svn.r6748)
;
_audit_update_record
;
2023-07-18 deposited with the CCDC.	2023-10-03 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.48(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.9012(18)
_cell_length_b                   22.770(6)
_cell_length_c                   19.527(5)
_cell_measurement_reflns_used    5024
_cell_measurement_temperature    100.0(1)
_cell_measurement_theta_max      25.54
_cell_measurement_theta_min      2.71
_cell_volume                     4298.3(19)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'XT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0(1)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0373
_diffrn_reflns_av_unetI/netI     0.0657
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            52418
_diffrn_reflns_point_group_measured_fraction_full 0.913
_diffrn_reflns_point_group_measured_fraction_max 0.892
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.577
_diffrn_reflns_theta_min         1.789
_exptl_absorpt_coefficient_mu    0.602
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6802
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0421 before and 0.0380 after correction.
The Ratio of minimum to maximum transmission is 0.9119.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            'clear red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.327
_exptl_crystal_description       block
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.193
_refine_diff_density_min         -0.662
_refine_diff_density_rms         0.073
_refine_ls_abs_structure_details
;
 Flack x determined using 8088 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.007(10)
_refine_ls_extinction_coef       0.0009(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     968
_refine_ls_number_reflns         21530
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0382
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0167P)²+1.6004P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0795
_refine_ls_wR_factor_ref         0.0810
_reflns_Friedel_coverage         0.786
_reflns_Friedel_fraction_full    0.827
_reflns_Friedel_fraction_max     0.786
_reflns_number_gt                20058
_reflns_number_total             21530
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02538a3.cif
_cod_data_source_block           rhcl(phpb)3
_cod_original_cell_volume        4298.2(19)
_cod_database_code               7714177
_shelx_shelxl_version_number     2019/1
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C28(H28A,H28B), C43(H43A,H43B), C58(H58A,H58B), C73(H73A,
 H73B), C88(H88A,H88B)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6), C8(H8), C9(H9), C10(H10), C11(H11),
 C12(H12), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C23(H23), C24(H24),
  C25(H25), C26(H26), C27(H27), C32(H32), C33(H33), C34(H34), C35(H35),
 C36(H36), C38(H38), C39(H39), C40(H40), C41(H41), C42(H42), C47(H47), C48(H48),
  C49(H49), C50(H50), C51(H51), C53(H53), C54(H54), C55(H55), C56(H56),
 C57(H57), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C68(H68), C69(H69),
  C70(H70), C71(H71), C72(H72), C77(H77), C78(H78), C79(H79), C80(H80),
 C81(H81), C83(H83), C84(H84), C85(H85), C86(H86), C87(H87)
2.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C15(H15A,H15B,H15C), C29(H29A,H29B,H29C), C30(H30A,H30B,
 H30C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C59(H59A,H59B,H59C), C60(H60A,
 H60B,H60C), C74(H74A,H74B,H74C), C75(H75A,H75B,H75C), C89(H89A,H89B,H89C),
 C90(H90A,H90B,H90C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, 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 0.36305(2) 0.61082(2) 0.50743(2) 0.01503(6) Uani 1 1 d . . . . .
Cl1 Cl 0.55575(9) 0.56965(4) 0.58826(4) 0.02066(16) Uani 1 1 d . . . . .
P1 P 0.27514(9) 0.51680(4) 0.50117(5) 0.01618(16) Uani 1 1 d . . . . .
P2 P 0.44486(10) 0.70077(4) 0.55658(5) 0.01782(17) Uani 1 1 d . . . . .
P3 P 0.21680(10) 0.64826(4) 0.41571(5) 0.01818(17) Uani 1 1 d . . . . .
C1 C 0.0868(4) 0.50942(15) 0.4796(2) 0.0242(7) Uani 1 1 d . . . . .
C2 C 0.0117(4) 0.53902(17) 0.5220(3) 0.0311(9) Uani 1 1 d . . . . .
H2 H 0.058817 0.560635 0.560187 0.037 Uiso 1 1 calc R U . . .
C3 C -0.1302(5) 0.53673(18) 0.5083(4) 0.0440(12) Uani 1 1 d . . . . .
H3 H -0.178351 0.556115 0.537504 0.053 Uiso 1 1 calc R U . . .
C4 C -0.2018(5) 0.5053(2) 0.4505(4) 0.0529(15) Uani 1 1 d . . . . .
H4 H -0.297980 0.504066 0.440541 0.063 Uiso 1 1 calc R U . . .
C5 C -0.1289(5) 0.4757(2) 0.4078(3) 0.0426(12) Uani 1 1 d . . . . .
H5 H -0.176677 0.454064 0.369836 0.051 Uiso 1 1 calc R U . . .
C6 C 0.0143(4) 0.47810(18) 0.4212(2) 0.0293(8) Uani 1 1 d . . . . .
H6 H 0.062146 0.459039 0.391612 0.035 Uiso 1 1 calc R U . . .
C7 C 0.3352(4) 0.46025(15) 0.44864(18) 0.0178(6) Uani 1 1 d . . . . .
C8 C 0.2928(4) 0.40158(15) 0.4496(2) 0.0242(7) Uani 1 1 d . . . . .
H8 H 0.229461 0.390991 0.476279 0.029 Uiso 1 1 calc R U . . .
C9 C 0.3442(5) 0.35925(17) 0.4112(2) 0.0314(9) Uani 1 1 d . . . . .
H9 H 0.314178 0.320589 0.411681 0.038 Uiso 1 1 calc R U . . .
C10 C 0.4399(5) 0.37418(18) 0.3723(2) 0.0298(9) Uani 1 1 d . . . . .
H10 H 0.474132 0.345687 0.346412 0.036 Uiso 1 1 calc R U . . .
C11 C 0.4845(4) 0.43161(18) 0.3718(2) 0.0256(8) Uani 1 1 d . . . . .
H11 H 0.550366 0.441605 0.346280 0.031 Uiso 1 1 calc R U . . .
C12 C 0.4314(4) 0.47460(17) 0.40931(19) 0.0225(7) Uani 1 1 d . . . . .
H12 H 0.460678 0.513303 0.407969 0.027 Uiso 1 1 calc R U . . .
C13 C 0.3215(4) 0.48682(17) 0.59056(19) 0.0215(7) Uani 1 1 d . . . . .
H13A H 0.274763 0.510242 0.619872 0.026 Uiso 1 1 calc R U . . .
H13B H 0.283804 0.447423 0.589275 0.026 Uiso 1 1 calc R U . . .
C14 C 0.5120(5) 0.49697(18) 0.7109(2) 0.0294(8) Uani 1 1 d . . . . .
H14A H 0.481143 0.464613 0.735113 0.044 Uiso 1 1 calc R U . . .
H14B H 0.463807 0.531986 0.719083 0.044 Uiso 1 1 calc R U . . .
H14C H 0.609625 0.502479 0.727987 0.044 Uiso 1 1 calc R U . . .
C15 C 0.5804(4) 0.43731(17) 0.6022(2) 0.0272(8) Uani 1 1 d . . . . .
H15A H 0.674845 0.445770 0.624004 0.041 Uiso 1 1 calc R U . . .
H15B H 0.568262 0.440210 0.552163 0.041 Uiso 1 1 calc R U . . .
H15C H 0.557642 0.398270 0.614449 0.041 Uiso 1 1 calc R U . . .
C16 C 0.4314(4) 0.76911(16) 0.50602(18) 0.0221(7) Uani 1 1 d . . . . .
C17 C 0.5357(5) 0.78496(18) 0.4717(2) 0.0290(8) Uani 1 1 d . . . . .
H17 H 0.615095 0.762046 0.477351 0.035 Uiso 1 1 calc R U . . .
C18 C 0.5226(5) 0.8346(2) 0.4292(2) 0.0396(11) Uani 1 1 d . . . . .
H18 H 0.593535 0.845140 0.407220 0.048 Uiso 1 1 calc R U . . .
C19 C 0.4042(6) 0.8682(2) 0.4198(2) 0.0419(12) Uani 1 1 d . . . . .
H19 H 0.394753 0.900812 0.390580 0.050 Uiso 1 1 calc R U . . .
C20 C 0.2994(5) 0.85385(18) 0.4533(2) 0.0354(10) Uani 1 1 d . . . . .
H20 H 0.220541 0.877128 0.447310 0.042 Uiso 1 1 calc R U . . .
C21 C 0.3124(5) 0.80414(16) 0.4964(2) 0.0264(8) Uani 1 1 d . . . . .
H21 H 0.241629 0.794291 0.518812 0.032 Uiso 1 1 calc R U . . .
C22 C 0.3706(4) 0.72312(16) 0.63066(19) 0.0217(7) Uani 1 1 d . . . . .
C23 C 0.2804(4) 0.68649(18) 0.6567(2) 0.0262(8) Uani 1 1 d . . . . .
H23 H 0.251390 0.651454 0.633672 0.031 Uiso 1 1 calc R U . . .
C24 C 0.2332(5) 0.7015(2) 0.7164(2) 0.0343(9) Uani 1 1 d . . . . .
H24 H 0.173947 0.676373 0.733379 0.041 Uiso 1 1 calc R U . . .
C25 C 0.2742(5) 0.7538(2) 0.7507(2) 0.0371(10) Uani 1 1 d . . . . .
H25 H 0.241655 0.764055 0.790331 0.045 Uiso 1 1 calc R U . . .
C26 C 0.3641(5) 0.79096(19) 0.7259(2) 0.0338(9) Uani 1 1 d . . . . .
H26 H 0.392581 0.825900 0.749212 0.041 Uiso 1 1 calc R U . . .
C27 C 0.4115(4) 0.77607(17) 0.6663(2) 0.0266(8) Uani 1 1 d . . . . .
H27 H 0.470929 0.801361 0.649782 0.032 Uiso 1 1 calc R U . . .
C28 C 0.6303(4) 0.69715(16) 0.59644(18) 0.0200(7) Uani 1 1 d . . . . .
H28A H 0.678341 0.689394 0.559054 0.024 Uiso 1 1 calc R U . . .
H28B H 0.658570 0.735940 0.614574 0.024 Uiso 1 1 calc R U . . .
C29 C 0.6262(5) 0.64838(19) 0.7263(2) 0.0305(9) Uani 1 1 d . . . . .
H29A H 0.675402 0.619332 0.757668 0.046 Uiso 1 1 calc R U . . .
H29B H 0.529929 0.638195 0.713889 0.046 Uiso 1 1 calc R U . . .
H29C H 0.636579 0.686064 0.748857 0.046 Uiso 1 1 calc R U . . .
C30 C 0.8415(5) 0.6310(2) 0.6645(3) 0.0336(9) Uani 1 1 d . . . . .
H30A H 0.902009 0.657729 0.694444 0.050 Uiso 1 1 calc R U . . .
H30B H 0.862980 0.630842 0.618830 0.050 Uiso 1 1 calc R U . . .
H30C H 0.853674 0.592154 0.684058 0.050 Uiso 1 1 calc R U . . .
C31 C 0.1075(4) 0.60127(15) 0.34917(19) 0.0224(7) Uani 1 1 d . . . . .
C32 C -0.0348(5) 0.60659(18) 0.3298(3) 0.0332(10) Uani 1 1 d . . . . .
H32 H -0.080596 0.632308 0.354027 0.040 Uiso 1 1 calc R U . . .
C33 C -0.1102(5) 0.5738(2) 0.2743(3) 0.0438(13) Uani 1 1 d . . . . .
H33 H -0.205651 0.578379 0.260974 0.053 Uiso 1 1 calc R U . . .
C34 C -0.0435(6) 0.5346(2) 0.2391(3) 0.0418(12) Uani 1 1 d . . . . .
H34 H -0.094190 0.512615 0.202206 0.050 Uiso 1 1 calc R U . . .
C35 C 0.0979(6) 0.52773(18) 0.2584(2) 0.0363(10) Uani 1 1 d . . . . .
H35 H 0.142615 0.500951 0.234993 0.044 Uiso 1 1 calc R U . . .
C36 C 0.1732(5) 0.56120(16) 0.3132(2) 0.0263(8) Uani 1 1 d . . . . .
H36 H 0.268707 0.556789 0.325988 0.032 Uiso 1 1 calc R U . . .
C37 C 0.0891(4) 0.70143(16) 0.4333(2) 0.0221(7) Uani 1 1 d . . . . .
C38 C 0.0460(4) 0.69801(16) 0.4959(2) 0.0254(7) Uani 1 1 d . . . . .
H38 H 0.079493 0.667981 0.527252 0.030 Uiso 1 1 calc R U . . .
C39 C -0.0468(5) 0.73878(18) 0.5129(2) 0.0307(9) Uani 1 1 d . . . . .
H39 H -0.074120 0.736273 0.555531 0.037 Uiso 1 1 calc R U . . .
C40 C -0.0980(5) 0.78324(18) 0.4654(3) 0.0339(9) Uani 1 1 d . . . . .
H40 H -0.158809 0.811050 0.476391 0.041 Uiso 1 1 calc R U . . .
C41 C -0.0583(5) 0.78584(18) 0.4021(2) 0.0349(10) Uani 1 1 d . . . . .
H41 H -0.094477 0.815028 0.370025 0.042 Uiso 1 1 calc R U . . .
C42 C 0.0345(5) 0.74585(17) 0.3854(2) 0.0299(9) Uani 1 1 d . . . . .
H42 H 0.060633 0.748343 0.342523 0.036 Uiso 1 1 calc R U . . .
C43 C 0.3036(4) 0.68905(17) 0.35606(19) 0.0244(7) Uani 1 1 d . . . . .
H43A H 0.233162 0.700684 0.315655 0.029 Uiso 1 1 calc R U . . .
H43B H 0.340758 0.724809 0.379874 0.029 Uiso 1 1 calc R U . . .
C44 C 0.5577(5) 0.6369(2) 0.3777(2) 0.0312(9) Uani 1 1 d . . . . .
H44A H 0.621565 0.669003 0.388800 0.047 Uiso 1 1 calc R U . . .
H44B H 0.598690 0.606295 0.355143 0.047 Uiso 1 1 calc R U . . .
H44C H 0.536085 0.621991 0.420042 0.047 Uiso 1 1 calc R U . . .
C45 C 0.4073(5) 0.6565(2) 0.2460(2) 0.0370(10) Uani 1 1 d . . . . .
H45A H 0.492675 0.643722 0.235084 0.056 Uiso 1 1 calc R U . . .
H45B H 0.384495 0.694920 0.226823 0.056 Uiso 1 1 calc R U . . .
H45C H 0.334914 0.629496 0.226167 0.056 Uiso 1 1 calc R U . . .
B1 B 0.4811(5) 0.48336(18) 0.6286(2) 0.0226(8) Uani 1 1 d . . . . .
B2 B 0.6865(5) 0.6509(2) 0.6580(2) 0.0267(9) Uani 1 1 d . . . . .
B3 B 0.4237(5) 0.6585(2) 0.3279(2) 0.0285(9) Uani 1 1 d . . . . .
Rh2 Rh 0.86352(2) 0.12121(2) 0.49842(2) 0.01622(6) Uani 1 1 d . . . . .
Cl2 Cl 0.99076(9) 0.14834(4) 0.41178(4) 0.02130(16) Uani 1 1 d . . . . .
P4 P 0.91797(11) 0.02561(4) 0.47348(5) 0.01958(18) Uani 1 1 d . . . . .
P5 P 0.77174(10) 0.21441(4) 0.48240(5) 0.01755(17) Uani 1 1 d . . . . .
P6 P 0.79845(10) 0.09826(4) 0.59636(5) 0.01962(18) Uani 1 1 d . . . . .
C46 C 0.9538(5) -0.03659(16) 0.53543(19) 0.0255(8) Uani 1 1 d . . . . .
C47 C 1.0895(5) -0.04846(19) 0.5706(2) 0.0338(9) Uani 1 1 d . . . . .
H47 H 1.161783 -0.025104 0.562788 0.041 Uiso 1 1 calc R U . . .
C48 C 1.1165(6) -0.0957(2) 0.6177(2) 0.0381(11) Uani 1 1 d . . . . .
H48 H 1.207121 -0.104032 0.640400 0.046 Uiso 1 1 calc R U . . .
C49 C 1.0105(6) -0.1297(2) 0.6304(2) 0.0408(12) Uani 1 1 d . . . . .
H49 H 1.029104 -0.160892 0.661771 0.049 Uiso 1 1 calc R U . . .
C50 C 0.8765(6) -0.11760(19) 0.5970(2) 0.0365(11) Uani 1 1 d . . . . .
H50 H 0.804842 -0.140494 0.606290 0.044 Uiso 1 1 calc R U . . .
C51 C 0.8467(5) -0.07124(17) 0.5490(2) 0.0287(8) Uani 1 1 d . . . . .
H51 H 0.755714 -0.063636 0.526221 0.034 Uiso 1 1 calc R U . . .
C52 C 0.7793(4) -0.00492(16) 0.40578(19) 0.0217(7) Uani 1 1 d . . . . .
C53 C 0.6609(4) 0.02777(18) 0.3791(2) 0.0263(8) Uani 1 1 d . . . . .
H53 H 0.649113 0.064314 0.398245 0.032 Uiso 1 1 calc R U . . .
C54 C 0.5601(5) 0.0061(2) 0.3239(2) 0.0313(9) Uani 1 1 d . . . . .
H54 H 0.480211 0.027803 0.307075 0.038 Uiso 1 1 calc R U . . .
C55 C 0.5784(5) -0.0477(2) 0.2941(2) 0.0327(9) Uani 1 1 d . . . . .
H55 H 0.511299 -0.061926 0.256896 0.039 Uiso 1 1 calc R U . . .
C56 C 0.6976(5) -0.08057(17) 0.3198(2) 0.0282(8) Uani 1 1 d . . . . .
H56 H 0.710145 -0.116635 0.299695 0.034 Uiso 1 1 calc R U . . .
C57 C 0.7970(5) -0.05943(16) 0.3751(2) 0.0255(8) Uani 1 1 d . . . . .
H57 H 0.876206 -0.081444 0.392232 0.031 Uiso 1 1 calc R U . . .
C58 C 1.0672(4) 0.02476(16) 0.4327(2) 0.0235(7) Uani 1 1 d . . . . .
H58A H 1.147925 0.035754 0.468083 0.028 Uiso 1 1 calc R U . . .
H58B H 1.081111 -0.015390 0.419055 0.028 Uiso 1 1 calc R U . . .
C59 C 1.2096(5) 0.0827(2) 0.3506(3) 0.0357(10) Uani 1 1 d . . . . .
H59A H 1.241511 0.051510 0.324975 0.054 Uiso 1 1 calc R U . . .
H59B H 1.274328 0.088433 0.394356 0.054 Uiso 1 1 calc R U . . .
H59C H 1.201912 0.118228 0.323547 0.054 Uiso 1 1 calc R U . . .
C60 C 0.9458(5) 0.05542(18) 0.2963(2) 0.0290(8) Uani 1 1 d . . . . .
H60A H 0.950161 0.015544 0.280996 0.043 Uiso 1 1 calc R U . . .
H60B H 0.960160 0.081608 0.260038 0.043 Uiso 1 1 calc R U . . .
H60C H 0.856669 0.062736 0.306452 0.043 Uiso 1 1 calc R U . . .
C61 C 0.5991(4) 0.22650(15) 0.50038(19) 0.0205(7) Uani 1 1 d . . . . .
C62 C 0.4912(4) 0.19246(17) 0.4634(2) 0.0282(8) Uani 1 1 d . . . . .
H62 H 0.508619 0.165237 0.430900 0.034 Uiso 1 1 calc R U . . .
C63 C 0.3586(4) 0.19831(19) 0.4742(2) 0.0319(9) Uani 1 1 d . . . . .
H63 H 0.287704 0.175148 0.448937 0.038 Uiso 1 1 calc R U . . .
C64 C 0.3309(4) 0.2388(2) 0.5227(2) 0.0318(9) Uani 1 1 d . . . . .
H64 H 0.241906 0.242568 0.530427 0.038 Uiso 1 1 calc R U . . .
C65 C 0.4368(5) 0.27316(19) 0.5590(2) 0.0307(9) Uani 1 1 d . . . . .
H65 H 0.418527 0.300827 0.590862 0.037 Uiso 1 1 calc R U . . .
C66 C 0.5707(4) 0.26703(17) 0.54866(19) 0.0237(7) Uani 1 1 d . . . . .
H66 H 0.641500 0.290129 0.574123 0.028 Uiso 1 1 calc R U . . .
C67 C 0.8744(4) 0.27474(16) 0.5277(2) 0.0246(8) Uani 1 1 d . . . . .
C68 C 0.8363(5) 0.33388(17) 0.5185(3) 0.0346(10) Uani 1 1 d . . . . .
H68 H 0.755742 0.344399 0.486713 0.041 Uiso 1 1 calc R U . . .
C69 C 0.9196(7) 0.3769(2) 0.5571(3) 0.0490(14) Uani 1 1 d . . . . .
H69 H 0.893889 0.416194 0.551131 0.059 Uiso 1 1 calc R U . . .
C70 C 1.0402(6) 0.3619(2) 0.6042(3) 0.0532(16) Uani 1 1 d . . . . .
H70 H 1.094042 0.391009 0.630177 0.064 Uiso 1 1 calc R U . . .
C71 C 1.0813(5) 0.3036(3) 0.6129(3) 0.0498(14) Uani 1 1 d . . . . .
H71 H 1.162656 0.293488 0.644339 0.060 Uiso 1 1 calc R U . . .
C72 C 0.9990(4) 0.2605(2) 0.5741(2) 0.0343(10) Uani 1 1 d . . . . .
H72 H 1.027273 0.221537 0.578966 0.041 Uiso 1 1 calc R U . . .
C73 C 0.7411(4) 0.23338(17) 0.3889(2) 0.0240(7) Uani 1 1 d . . . . .
H73A H 0.674463 0.205455 0.363787 0.029 Uiso 1 1 calc R U . . .
H73B H 0.696944 0.271623 0.383317 0.029 Uiso 1 1 calc R U . . .
C74 C 0.8406(6) 0.2099(2) 0.2725(2) 0.0388(11) Uani 1 1 d . . . . .
H74A H 0.786677 0.237395 0.240529 0.058 Uiso 1 1 calc R U . . .
H74B H 0.791369 0.173440 0.270680 0.058 Uiso 1 1 calc R U . . .
H74C H 0.927518 0.203402 0.259496 0.058 Uiso 1 1 calc R U . . .
C75 C 0.9851(5) 0.28334(19) 0.3717(3) 0.0374(10) Uani 1 1 d . . . . .
H75A H 1.065097 0.271777 0.354666 0.056 Uiso 1 1 calc R U . . .
H75B H 1.009188 0.286581 0.421894 0.056 Uiso 1 1 calc R U . . .
H75C H 0.952392 0.320608 0.351792 0.056 Uiso 1 1 calc R U . . .
C76 C 0.6684(4) 0.04075(16) 0.59316(19) 0.0224(7) Uani 1 1 d . . . . .
C77 C 0.5582(4) 0.03737(17) 0.5350(2) 0.0269(8) Uani 1 1 d . . . . .
H77 H 0.550559 0.065363 0.499722 0.032 Uiso 1 1 calc R U . . .
C78 C 0.4604(5) -0.0066(2) 0.5288(3) 0.0358(10) Uani 1 1 d . . . . .
H78 H 0.388455 -0.008215 0.489369 0.043 Uiso 1 1 calc R U . . .
C79 C 0.4693(5) -0.0485(2) 0.5816(2) 0.0347(9) Uani 1 1 d . . . . .
H79 H 0.404042 -0.078394 0.577268 0.042 Uiso 1 1 calc R U . . .
C80 C 0.5751(5) -0.04546(19) 0.6402(2) 0.0339(9) Uani 1 1 d . . . . .
H80 H 0.580951 -0.073214 0.675668 0.041 Uiso 1 1 calc R U . . .
C81 C 0.6738(5) -0.00086(17) 0.6466(2) 0.0292(8) Uani 1 1 d . . . . .
H81 H 0.743958 0.001283 0.686812 0.035 Uiso 1 1 calc R U . . .
C82 C 0.7308(4) 0.15453(16) 0.64803(19) 0.0236(7) Uani 1 1 d . . . . .
C83 C 0.5962(5) 0.15369(18) 0.6586(2) 0.0293(8) Uani 1 1 d . . . . .
H83 H 0.534013 0.125516 0.636193 0.035 Uiso 1 1 calc R U . . .
C84 C 0.5542(6) 0.1948(2) 0.7024(2) 0.0407(11) Uani 1 1 d . . . . .
H84 H 0.463988 0.194363 0.708987 0.049 Uiso 1 1 calc R U . . .
C85 C 0.6469(6) 0.2364(2) 0.7362(2) 0.0442(13) Uani 1 1 d . . . . .
H85 H 0.619814 0.262722 0.767040 0.053 Uiso 1 1 calc R U . . .
C86 C 0.7786(6) 0.2391(2) 0.7245(2) 0.0425(12) Uani 1 1 d . . . . .
H86 H 0.838699 0.268424 0.745781 0.051 Uiso 1 1 calc R U . . .
C87 C 0.8231(5) 0.19806(19) 0.6808(2) 0.0347(10) Uani 1 1 d . . . . .
H87 H 0.912769 0.199587 0.673493 0.042 Uiso 1 1 calc R U . . .
C88 C 0.9439(4) 0.07120(17) 0.66469(19) 0.0254(8) Uani 1 1 d . . . . .
H88A H 0.911800 0.069097 0.708167 0.030 Uiso 1 1 calc R U . . .
H88B H 0.963060 0.031262 0.652323 0.030 Uiso 1 1 calc R U . . .
C89 C 1.1453(7) 0.1251(4) 0.7582(3) 0.072(2) Uani 1 1 d . . . . .
H89A H 1.180031 0.164495 0.758492 0.108 Uiso 1 1 calc R U . . .
H89B H 1.219020 0.099236 0.779560 0.108 Uiso 1 1 calc R U . . .
H89C H 1.073217 0.123728 0.784057 0.108 Uiso 1 1 calc R U . . .
C90 C 1.1778(5) 0.1114(2) 0.6256(3) 0.0393(11) Uani 1 1 d . . . . .
H90A H 1.232592 0.076586 0.625979 0.059 Uiso 1 1 calc R U . . .
H90B H 1.237628 0.144822 0.636926 0.059 Uiso 1 1 calc R U . . .
H90C H 1.119614 0.116604 0.579841 0.059 Uiso 1 1 calc R U . . .
B4 B 1.0627(5) 0.06599(19) 0.3652(2) 0.0249(8) Uani 1 1 d . . . . .
B5 B 0.8674(5) 0.2357(2) 0.3499(3) 0.0294(9) Uani 1 1 d . . . . .
B6 B 1.0863(6) 0.1053(2) 0.6808(3) 0.0343(11) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 '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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rh Rh -1.1178 0.9187 '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
Cl1 Rh1 H44C 85.9 . . ?
P1 Rh1 Cl1 84.78(3) . . ?
P1 Rh1 P2 158.69(3) . . ?
P1 Rh1 H44C 109.9 . . ?
P2 Rh1 Cl1 85.18(4) . . ?
P2 Rh1 H44C 88.0 . . ?
P3 Rh1 Cl1 166.88(4) . . ?
P3 Rh1 P1 98.12(4) . . ?
P3 Rh1 P2 95.91(4) . . ?
P3 Rh1 H44C 81.1 . . ?
Rh1 Cl1 B2 108.44(11) . . ?
B1 Cl1 Rh1 106.97(11) . . ?
B1 Cl1 B2 128.03(15) . . ?
C1 P1 Rh1 116.89(12) . . ?
C1 P1 C13 102.57(19) . . ?
C7 P1 Rh1 121.35(12) . . ?
C7 P1 C1 104.23(17) . . ?
C7 P1 C13 103.13(17) . . ?
C13 P1 Rh1 106.30(13) . . ?
C16 P2 Rh1 123.09(12) . . ?
C16 P2 C28 102.49(17) . . ?
C22 P2 Rh1 113.97(13) . . ?
C22 P2 C16 101.23(18) . . ?
C22 P2 C28 102.32(17) . . ?
C28 P2 Rh1 111.22(12) . . ?
C31 P3 Rh1 121.87(12) . . ?
C37 P3 Rh1 117.32(12) . . ?
C37 P3 C31 101.05(17) . . ?
C37 P3 C43 102.70(18) . . ?
C43 P3 Rh1 113.12(13) . . ?
C43 P3 C31 97.46(18) . . ?
C2 C1 P1 117.7(3) . . ?
C2 C1 C6 118.8(4) . . ?
C6 C1 P1 123.4(3) . . ?
C1 C2 H2 119.4 . . ?
C3 C2 C1 121.2(4) . . ?
C3 C2 H2 119.4 . . ?
C2 C3 H3 120.1 . . ?
C2 C3 C4 119.8(5) . . ?
C4 C3 H3 120.1 . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.7(4) . . ?
C5 C4 H4 120.2 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.7(5) . . ?
C6 C5 H5 119.6 . . ?
C1 C6 H6 120.1 . . ?
C5 C6 C1 119.7(4) . . ?
C5 C6 H6 120.1 . . ?
C8 C7 P1 122.0(3) . . ?
C12 C7 P1 119.5(3) . . ?
C12 C7 C8 118.4(3) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 C7 120.7(4) . . ?
C9 C8 H8 119.6 . . ?
C8 C9 H9 119.9 . . ?
C10 C9 C8 120.3(4) . . ?
C10 C9 H9 119.9 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.8(4) . . ?
C11 C10 H10 120.1 . . ?
C10 C11 H11 119.9 . . ?
C10 C11 C12 120.3(4) . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 120.6(4) . . ?
C7 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
P1 C13 H13A 107.7 . . ?
P1 C13 H13B 107.7 . . ?
H13A C13 H13B 107.1 . . ?
B1 C13 P1 118.7(3) . . ?
B1 C13 H13A 107.7 . . ?
B1 C13 H13B 107.7 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
B1 C14 H14A 109.5 . . ?
B1 C14 H14B 109.5 . . ?
B1 C14 H14C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
B1 C15 H15A 109.5 . . ?
B1 C15 H15B 109.5 . . ?
B1 C15 H15C 109.5 . . ?
C17 C16 P2 120.2(3) . . ?
C17 C16 C21 118.5(4) . . ?
C21 C16 P2 121.1(3) . . ?
C16 C17 H17 119.6 . . ?
C18 C17 C16 120.9(4) . . ?
C18 C17 H17 119.6 . . ?
C17 C18 H18 120.1 . . ?
C19 C18 C17 119.7(5) . . ?
C19 C18 H18 120.1 . . ?
C18 C19 H19 119.6 . . ?
C18 C19 C20 120.8(4) . . ?
C20 C19 H19 119.6 . . ?
C19 C20 H20 120.2 . . ?
C19 C20 C21 119.7(5) . . ?
C21 C20 H20 120.2 . . ?
C16 C21 H21 119.8 . . ?
C20 C21 C16 120.4(4) . . ?
C20 C21 H21 119.8 . . ?
C23 C22 P2 121.3(3) . . ?
C23 C22 C27 118.0(4) . . ?
C27 C22 P2 120.5(3) . . ?
C22 C23 H23 119.5 . . ?
C24 C23 C22 121.1(4) . . ?
C24 C23 H23 119.5 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.1(4) . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 119.9(4) . . ?
C26 C25 H25 120.0 . . ?
C25 C26 H26 119.9 . . ?
C27 C26 C25 120.2(4) . . ?
C27 C26 H26 119.9 . . ?
C22 C27 H27 119.6 . . ?
C26 C27 C22 120.7(4) . . ?
C26 C27 H27 119.6 . . ?
P2 C28 H28A 107.3 . . ?
P2 C28 H28B 107.3 . . ?
H28A C28 H28B 106.9 . . ?
B2 C28 P2 120.1(3) . . ?
B2 C28 H28A 107.3 . . ?
B2 C28 H28B 107.3 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
B2 C29 H29A 109.5 . . ?
B2 C29 H29B 109.5 . . ?
B2 C29 H29C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
B2 C30 H30A 109.5 . . ?
B2 C30 H30B 109.5 . . ?
B2 C30 H30C 109.5 . . ?
C32 C31 P3 123.4(3) . . ?
C32 C31 C36 118.5(3) . . ?
C36 C31 P3 117.9(3) . . ?
C31 C32 H32 119.7 . . ?
C31 C32 C33 120.6(5) . . ?
C33 C32 H32 119.7 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 C32 120.1(5) . . ?
C34 C33 H33 120.0 . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.3(4) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 120.2 . . ?
C34 C35 C36 119.5(4) . . ?
C36 C35 H35 120.2 . . ?
C31 C36 H36 119.5 . . ?
C35 C36 C31 121.0(4) . . ?
C35 C36 H36 119.5 . . ?
C38 C37 P3 119.0(3) . . ?
C38 C37 C42 118.8(4) . . ?
C42 C37 P3 122.2(3) . . ?
C37 C38 H38 119.4 . . ?
C37 C38 C39 121.3(4) . . ?
C39 C38 H38 119.4 . . ?
C38 C39 H39 120.4 . . ?
C40 C39 C38 119.2(4) . . ?
C40 C39 H39 120.4 . . ?
C39 C40 H40 120.1 . . ?
C41 C40 C39 119.7(4) . . ?
C41 C40 H40 120.1 . . ?
C40 C41 H41 119.4 . . ?
C40 C41 C42 121.1(4) . . ?
C42 C41 H41 119.4 . . ?
C37 C42 H42 120.1 . . ?
C41 C42 C37 119.9(4) . . ?
C41 C42 H42 120.1 . . ?
P3 C43 H43A 107.5 . . ?
P3 C43 H43B 107.5 . . ?
H43A C43 H43B 107.0 . . ?
B3 C43 P3 119.3(3) . . ?
B3 C43 H43A 107.5 . . ?
B3 C43 H43B 107.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
B3 C44 H44A 109.5 . . ?
B3 C44 H44B 109.5 . . ?
B3 C44 H44C 109.5 . . ?
H45A C45 H45B 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
B3 C45 H45A 109.5 . . ?
B3 C45 H45B 109.5 . . ?
B3 C45 H45C 109.5 . . ?
C13 B1 Cl1 99.1(2) . . ?
C13 B1 C14 114.4(4) . . ?
C13 B1 C15 119.9(3) . . ?
C14 B1 Cl1 100.0(2) . . ?
C15 B1 Cl1 100.6(3) . . ?
C15 B1 C14 117.0(3) . . ?
C28 B2 Cl1 91.3(2) . . ?
C29 B2 Cl1 100.8(3) . . ?
C29 B2 C28 121.7(4) . . ?
C29 B2 C30 117.5(4) . . ?
C30 B2 Cl1 102.2(3) . . ?
C30 B2 C28 115.0(4) . . ?
C44 B3 C43 122.1(4) . . ?
C44 B3 C45 121.0(4) . . ?
C45 B3 C43 116.7(4) . . ?
Cl2 Rh2 H90C 81.7 . . ?
P4 Rh2 Cl2 84.97(4) . . ?
P4 Rh2 H90C 81.7 . . ?
P5 Rh2 Cl2 85.34(3) . . ?
P5 Rh2 P4 159.89(4) . . ?
P5 Rh2 H90C 114.2 . . ?
P6 Rh2 Cl2 165.40(4) . . ?
P6 Rh2 P4 94.84(4) . . ?
P6 Rh2 P5 98.93(4) . . ?
P6 Rh2 H90C 83.9 . . ?
Rh2 Cl2 B5 105.62(12) . . ?
B4 Cl2 Rh2 109.20(12) . . ?
B4 Cl2 B5 128.80(16) . . ?
C46 P4 Rh2 127.06(13) . . ?
C52 P4 Rh2 109.68(12) . . ?
C52 P4 C46 100.97(18) . . ?
C58 P4 Rh2 110.41(12) . . ?
C58 P4 C46 102.67(18) . . ?
C58 P4 C52 103.48(18) . . ?
C61 P5 Rh2 117.89(12) . . ?
C67 P5 Rh2 117.84(14) . . ?
C67 P5 C61 103.82(18) . . ?
C67 P5 C73 105.08(18) . . ?
C73 P5 Rh2 109.11(13) . . ?
C73 P5 C61 101.20(18) . . ?
C76 P6 Rh2 118.36(13) . . ?
C76 P6 C82 100.37(19) . . ?
C76 P6 C88 102.68(18) . . ?
C82 P6 Rh2 121.18(13) . . ?
C82 P6 C88 98.94(17) . . ?
C88 P6 Rh2 112.15(14) . . ?
C47 C46 P4 119.9(3) . . ?
C51 C46 P4 120.8(3) . . ?
C51 C46 C47 119.2(4) . . ?
C46 C47 H47 120.1 . . ?
C46 C47 C48 119.8(5) . . ?
C48 C47 H47 120.1 . . ?
C47 C48 H48 119.8 . . ?
C49 C48 C47 120.5(5) . . ?
C49 C48 H48 119.8 . . ?
C48 C49 H49 120.0 . . ?
C48 C49 C50 120.0(4) . . ?
C50 C49 H49 120.0 . . ?
C49 C50 H50 119.6 . . ?
C49 C50 C51 120.8(5) . . ?
C51 C50 H50 119.6 . . ?
C46 C51 C50 119.7(4) . . ?
C46 C51 H51 120.2 . . ?
C50 C51 H51 120.2 . . ?
C53 C52 P4 120.6(3) . . ?
C53 C52 C57 119.0(4) . . ?
C57 C52 P4 120.1(3) . . ?
C52 C53 H53 119.8 . . ?
C54 C53 C52 120.4(4) . . ?
C54 C53 H53 119.8 . . ?
C53 C54 H54 119.9 . . ?
C55 C54 C53 120.1(4) . . ?
C55 C54 H54 119.9 . . ?
C54 C55 H55 120.0 . . ?
C54 C55 C56 120.0(4) . . ?
C56 C55 H55 120.0 . . ?
C55 C56 H56 120.0 . . ?
C57 C56 C55 119.9(4) . . ?
C57 C56 H56 120.0 . . ?
C52 C57 H57 119.7 . . ?
C56 C57 C52 120.5(4) . . ?
C56 C57 H57 119.7 . . ?
P4 C58 H58A 107.8 . . ?
P4 C58 H58B 107.8 . . ?
H58A C58 H58B 107.1 . . ?
B4 C58 P4 118.0(3) . . ?
B4 C58 H58A 107.8 . . ?
B4 C58 H58B 107.8 . . ?
H59A C59 H59B 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
B4 C59 H59A 109.5 . . ?
B4 C59 H59B 109.5 . . ?
B4 C59 H59C 109.5 . . ?
H60A C60 H60B 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
B4 C60 H60A 109.5 . . ?
B4 C60 H60B 109.5 . . ?
B4 C60 H60C 109.5 . . ?
C62 C61 P5 117.4(3) . . ?
C62 C61 C66 118.5(4) . . ?
C66 C61 P5 124.2(3) . . ?
C61 C62 H62 119.4 . . ?
C63 C62 C61 121.2(4) . . ?
C63 C62 H62 119.4 . . ?
C62 C63 H63 119.9 . . ?
C62 C63 C64 120.1(4) . . ?
C64 C63 H63 119.9 . . ?
C63 C64 H64 120.4 . . ?
C65 C64 C63 119.2(4) . . ?
C65 C64 H64 120.4 . . ?
C64 C65 H65 119.6 . . ?
C64 C65 C66 120.8(4) . . ?
C66 C65 H65 119.6 . . ?
C61 C66 H66 119.9 . . ?
C65 C66 C61 120.3(4) . . ?
C65 C66 H66 119.9 . . ?
C68 C67 P5 123.9(3) . . ?
C68 C67 C72 118.7(4) . . ?
C72 C67 P5 117.5(3) . . ?
C67 C68 H68 120.1 . . ?
C69 C68 C67 119.8(5) . . ?
C69 C68 H68 120.1 . . ?
C68 C69 H69 119.7 . . ?
C70 C69 C68 120.7(5) . . ?
C70 C69 H69 119.7 . . ?
C69 C70 H70 119.8 . . ?
C69 C70 C71 120.4(4) . . ?
C71 C70 H70 119.8 . . ?
C70 C71 H71 120.5 . . ?
C70 C71 C72 119.1(5) . . ?
C72 C71 H71 120.5 . . ?
C67 C72 H72 119.3 . . ?
C71 C72 C67 121.4(5) . . ?
C71 C72 H72 119.3 . . ?
P5 C73 H73A 107.3 . . ?
P5 C73 H73B 107.3 . . ?
H73A C73 H73B 106.9 . . ?
B5 C73 P5 120.2(3) . . ?
B5 C73 H73A 107.3 . . ?
B5 C73 H73B 107.3 . . ?
H74A C74 H74B 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
B5 C74 H74A 109.5 . . ?
B5 C74 H74B 109.5 . . ?
B5 C74 H74C 109.5 . . ?
H75A C75 H75B 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
B5 C75 H75A 109.5 . . ?
B5 C75 H75B 109.5 . . ?
B5 C75 H75C 109.5 . . ?
C77 C76 P6 119.2(3) . . ?
C77 C76 C81 117.7(4) . . ?
C81 C76 P6 123.0(3) . . ?
C76 C77 H77 119.3 . . ?
C78 C77 C76 121.5(4) . . ?
C78 C77 H77 119.3 . . ?
C77 C78 H78 120.0 . . ?
C77 C78 C79 120.0(4) . . ?
C79 C78 H78 120.0 . . ?
C78 C79 H79 120.1 . . ?
C80 C79 C78 119.7(4) . . ?
C80 C79 H79 120.1 . . ?
C79 C80 H80 119.9 . . ?
C79 C80 C81 120.2(4) . . ?
C81 C80 H80 119.9 . . ?
C76 C81 H81 119.6 . . ?
C80 C81 C76 120.7(4) . . ?
C80 C81 H81 119.6 . . ?
C83 C82 P6 122.9(3) . . ?
C83 C82 C87 119.4(4) . . ?
C87 C82 P6 117.5(3) . . ?
C82 C83 H83 119.9 . . ?
C84 C83 C82 120.3(4) . . ?
C84 C83 H83 119.9 . . ?
C83 C84 H84 120.0 . . ?
C85 C84 C83 119.9(5) . . ?
C85 C84 H84 120.0 . . ?
C84 C85 H85 119.7 . . ?
C86 C85 C84 120.5(4) . . ?
C86 C85 H85 119.7 . . ?
C85 C86 H86 119.8 . . ?
C85 C86 C87 120.4(5) . . ?
C87 C86 H86 119.8 . . ?
C82 C87 H87 120.3 . . ?
C86 C87 C82 119.3(5) . . ?
C86 C87 H87 120.3 . . ?
P6 C88 H88A 107.3 . . ?
P6 C88 H88B 107.3 . . ?
H88A C88 H88B 106.9 . . ?
B6 C88 P6 120.2(3) . . ?
B6 C88 H88A 107.3 . . ?
B6 C88 H88B 107.3 . . ?
H89A C89 H89B 109.5 . . ?
H89A C89 H89C 109.5 . . ?
H89B C89 H89C 109.5 . . ?
B6 C89 H89A 109.5 . . ?
B6 C89 H89B 109.5 . . ?
B6 C89 H89C 109.5 . . ?
H90A C90 H90B 109.5 . . ?
H90A C90 H90C 109.5 . . ?
H90B C90 H90C 109.5 . . ?
B6 C90 H90A 109.5 . . ?
B6 C90 H90B 109.5 . . ?
B6 C90 H90C 109.5 . . ?
C58 B4 Cl2 96.3(2) . . ?
C59 B4 Cl2 104.7(3) . . ?
C59 B4 C58 115.0(4) . . ?
C59 B4 C60 114.3(4) . . ?
C60 B4 Cl2 103.3(3) . . ?
C60 B4 C58 119.3(4) . . ?
C73 B5 Cl2 95.4(2) . . ?
C74 B5 Cl2 97.5(3) . . ?
C74 B5 C73 117.0(4) . . ?
C75 B5 Cl2 99.3(3) . . ?
C75 B5 C73 120.0(4) . . ?
C75 B5 C74 118.1(4) . . ?
C89 B6 C88 117.7(5) . . ?
C90 B6 C88 122.2(4) . . ?
C90 B6 C89 119.4(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
Rh1 Cl1 2.3892(12) . ?
Rh1 P1 2.3043(10) . ?
Rh1 P2 2.3315(10) . ?
Rh1 P3 2.2158(12) . ?
Rh1 H44C 2.6788 . ?
Cl1 B1 2.298(4) . ?
Cl1 B2 2.489(5) . ?
P1 C1 1.828(4) . ?
P1 C7 1.824(4) . ?
P1 C13 1.838(4) . ?
P2 C16 1.832(4) . ?
P2 C22 1.831(4) . ?
P2 C28 1.835(4) . ?
P3 C31 1.843(4) . ?
P3 C37 1.835(4) . ?
P3 C43 1.841(4) . ?
C1 C2 1.400(6) . ?
C1 C6 1.404(6) . ?
C2 H2 0.9300 . ?
C2 C3 1.373(7) . ?
C3 H3 0.9300 . ?
C3 C4 1.395(8) . ?
C4 H4 0.9300 . ?
C4 C5 1.388(8) . ?
C5 H5 0.9300 . ?
C5 C6 1.386(6) . ?
C6 H6 0.9300 . ?
C7 C8 1.402(5) . ?
C7 C12 1.385(5) . ?
C8 H8 0.9300 . ?
C8 C9 1.384(6) . ?
C9 H9 0.9300 . ?
C9 C10 1.379(7) . ?
C10 H10 0.9300 . ?
C10 C11 1.381(6) . ?
C11 H11 0.9300 . ?
C11 C12 1.393(6) . ?
C12 H12 0.9300 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 B1 1.596(6) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C14 B1 1.600(6) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C15 B1 1.597(6) . ?
C16 C17 1.394(6) . ?
C16 C21 1.401(6) . ?
C17 H17 0.9300 . ?
C17 C18 1.393(6) . ?
C18 H18 0.9300 . ?
C18 C19 1.378(8) . ?
C19 H19 0.9300 . ?
C19 C20 1.380(8) . ?
C20 H20 0.9300 . ?
C20 C21 1.400(5) . ?
C21 H21 0.9300 . ?
C22 C23 1.395(6) . ?
C22 C27 1.408(5) . ?
C23 H23 0.9300 . ?
C23 C24 1.390(6) . ?
C24 H24 0.9300 . ?
C24 C25 1.383(7) . ?
C25 H25 0.9300 . ?
C25 C26 1.390(7) . ?
C26 H26 0.9300 . ?
C26 C27 1.386(6) . ?
C27 H27 0.9300 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 B2 1.604(6) . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C29 B2 1.575(7) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C30 B2 1.579(7) . ?
C31 C32 1.384(6) . ?
C31 C36 1.395(6) . ?
C32 H32 0.9300 . ?
C32 C33 1.392(6) . ?
C33 H33 0.9300 . ?
C33 C34 1.380(8) . ?
C34 H34 0.9300 . ?
C34 C35 1.377(8) . ?
C35 H35 0.9300 . ?
C35 C36 1.391(5) . ?
C36 H36 0.9300 . ?
C37 C38 1.381(6) . ?
C37 C42 1.404(5) . ?
C38 H38 0.9300 . ?
C38 C39 1.397(6) . ?
C39 H39 0.9300 . ?
C39 C40 1.393(6) . ?
C40 H40 0.9300 . ?
C40 C41 1.378(7) . ?
C41 H41 0.9300 . ?
C41 C42 1.381(6) . ?
C42 H42 0.9300 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
C43 B3 1.575(7) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C44 B3 1.546(6) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C45 B3 1.573(6) . ?
Rh2 Cl2 2.3985(11) . ?
Rh2 P4 2.3195(11) . ?
Rh2 P5 2.3032(10) . ?
Rh2 P6 2.2087(12) . ?
Rh2 H90C 2.6880 . ?
Cl2 B4 2.265(4) . ?
Cl2 B5 2.503(5) . ?
P4 C46 1.846(4) . ?
P4 C52 1.825(4) . ?
P4 C58 1.824(4) . ?
P5 C61 1.838(4) . ?
P5 C67 1.820(4) . ?
P5 C73 1.836(4) . ?
P6 C76 1.828(4) . ?
P6 C82 1.844(4) . ?
P6 C88 1.845(4) . ?
C46 C47 1.397(6) . ?
C46 C51 1.392(6) . ?
C47 H47 0.9300 . ?
C47 C48 1.403(6) . ?
C48 H48 0.9300 . ?
C48 C49 1.370(8) . ?
C49 H49 0.9300 . ?
C49 C50 1.373(8) . ?
C50 H50 0.9300 . ?
C50 C51 1.400(6) . ?
C51 H51 0.9300 . ?
C52 C53 1.391(5) . ?
C52 C57 1.405(5) . ?
C53 H53 0.9300 . ?
C53 C54 1.391(6) . ?
C54 H54 0.9300 . ?
C54 C55 1.386(6) . ?
C55 H55 0.9300 . ?
C55 C56 1.396(6) . ?
C56 H56 0.9300 . ?
C56 C57 1.381(6) . ?
C57 H57 0.9300 . ?
C58 H58A 0.9700 . ?
C58 H58B 0.9700 . ?
C58 B4 1.611(6) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C59 B4 1.588(7) . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C60 B4 1.591(6) . ?
C61 C62 1.389(5) . ?
C61 C66 1.391(5) . ?
C62 H62 0.9300 . ?
C62 C63 1.380(6) . ?
C63 H63 0.9300 . ?
C63 C64 1.390(6) . ?
C64 H64 0.9300 . ?
C64 C65 1.376(7) . ?
C65 H65 0.9300 . ?
C65 C66 1.391(6) . ?
C66 H66 0.9300 . ?
C67 C68 1.399(6) . ?
C67 C72 1.402(6) . ?
C68 H68 0.9300 . ?
C68 C69 1.393(7) . ?
C69 H69 0.9300 . ?
C69 C70 1.383(10) . ?
C70 H70 0.9300 . ?
C70 C71 1.388(9) . ?
C71 H71 0.9300 . ?
C71 C72 1.390(6) . ?
C72 H72 0.9300 . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C73 B5 1.600(6) . ?
C74 H74A 0.9600 . ?
C74 H74B 0.9600 . ?
C74 H74C 0.9600 . ?
C74 B5 1.590(7) . ?
C75 H75A 0.9600 . ?
C75 H75B 0.9600 . ?
C75 H75C 0.9600 . ?
C75 B5 1.582(7) . ?
C76 C77 1.396(6) . ?
C76 C81 1.402(5) . ?
C77 H77 0.9300 . ?
C77 C78 1.379(6) . ?
C78 H78 0.9300 . ?
C78 C79 1.394(6) . ?
C79 H79 0.9300 . ?
C79 C80 1.376(7) . ?
C80 H80 0.9300 . ?
C80 C81 1.396(6) . ?
C81 H81 0.9300 . ?
C82 C83 1.392(6) . ?
C82 C87 1.405(6) . ?
C83 H83 0.9300 . ?
C83 C84 1.392(6) . ?
C84 H84 0.9300 . ?
C84 C85 1.382(8) . ?
C85 H85 0.9300 . ?
C85 C86 1.373(8) . ?
C86 H86 0.9300 . ?
C86 C87 1.399(6) . ?
C87 H87 0.9300 . ?
C88 H88A 0.9700 . ?
C88 H88B 0.9700 . ?
C88 B6 1.580(7) . ?
C89 H89A 0.9600 . ?
C89 H89B 0.9600 . ?
C89 H89C 0.9600 . ?
C89 B6 1.564(7) . ?
C90 H90A 0.9600 . ?
C90 H90B 0.9600 . ?
C90 H90C 0.9600 . ?
C90 B6 1.558(8) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Rh1 P1 C1 C2 -55.6(4) . . . . ?
Rh1 P1 C1 C6 121.3(3) . . . . ?
Rh1 P1 C7 C8 173.7(2) . . . . ?
Rh1 P1 C7 C12 -2.7(3) . . . . ?
Rh1 P1 C13 B1 -58.7(3) . . . . ?
Rh1 P2 C16 C17 -88.6(3) . . . . ?
Rh1 P2 C16 C21 86.4(3) . . . . ?
Rh1 P2 C22 C23 4.0(4) . . . . ?
Rh1 P2 C22 C27 179.1(3) . . . . ?
Rh1 P2 C28 B2 -59.0(3) . . . . ?
Rh1 P3 C31 C32 125.7(3) . . . . ?
Rh1 P3 C31 C36 -59.0(3) . . . . ?
Rh1 P3 C37 C38 -27.9(3) . . . . ?
Rh1 P3 C37 C42 151.6(3) . . . . ?
Rh1 P3 C43 B3 52.3(3) . . . . ?
P1 C1 C2 C3 178.5(4) . . . . ?
P1 C1 C6 C5 -178.6(3) . . . . ?
P1 C7 C8 C9 -177.5(3) . . . . ?
P1 C7 C12 C11 176.5(3) . . . . ?
P1 C13 B1 Cl1 37.7(3) . . . . ?
P1 C13 B1 C14 143.0(3) . . . . ?
P1 C13 B1 C15 -70.2(4) . . . . ?
P2 C16 C17 C18 175.6(3) . . . . ?
P2 C16 C21 C20 -175.2(3) . . . . ?
P2 C22 C23 C24 174.7(3) . . . . ?
P2 C22 C27 C26 -174.8(3) . . . . ?
P2 C28 B2 Cl1 49.3(3) . . . . ?
P2 C28 B2 C29 -54.3(5) . . . . ?
P2 C28 B2 C30 153.4(3) . . . . ?
P3 C31 C32 C33 173.5(4) . . . . ?
P3 C31 C36 C35 -174.8(3) . . . . ?
P3 C37 C38 C39 177.5(3) . . . . ?
P3 C37 C42 C41 -178.1(3) . . . . ?
P3 C43 B3 C44 -60.5(5) . . . . ?
P3 C43 B3 C45 125.2(3) . . . . ?
C1 P1 C7 C8 -51.8(3) . . . . ?
C1 P1 C7 C12 131.8(3) . . . . ?
C1 P1 C13 B1 178.1(3) . . . . ?
C1 C2 C3 C4 -1.1(8) . . . . ?
C2 C1 C6 C5 -1.8(6) . . . . ?
C2 C3 C4 C5 1.0(8) . . . . ?
C3 C4 C5 C6 -1.3(9) . . . . ?
C4 C5 C6 C1 1.7(7) . . . . ?
C6 C1 C2 C3 1.5(6) . . . . ?
C7 P1 C1 C2 167.5(3) . . . . ?
C7 P1 C1 C6 -15.6(4) . . . . ?
C7 P1 C13 B1 70.0(3) . . . . ?
C7 C8 C9 C10 1.0(6) . . . . ?
C8 C7 C12 C11 -0.1(5) . . . . ?
C8 C9 C10 C11 0.1(6) . . . . ?
C9 C10 C11 C12 -1.3(6) . . . . ?
C10 C11 C12 C7 1.2(5) . . . . ?
C12 C7 C8 C9 -1.0(5) . . . . ?
C13 P1 C1 C2 60.2(3) . . . . ?
C13 P1 C1 C6 -122.9(3) . . . . ?
C13 P1 C7 C8 55.1(3) . . . . ?
C13 P1 C7 C12 -121.4(3) . . . . ?
C16 P2 C22 C23 138.2(3) . . . . ?
C16 P2 C22 C27 -46.7(3) . . . . ?
C16 P2 C28 B2 167.7(3) . . . . ?
C16 C17 C18 C19 -1.1(7) . . . . ?
C17 C16 C21 C20 0.0(6) . . . . ?
C17 C18 C19 C20 1.4(7) . . . . ?
C18 C19 C20 C21 -1.1(7) . . . . ?
C19 C20 C21 C16 0.4(6) . . . . ?
C21 C16 C17 C18 0.4(6) . . . . ?
C22 P2 C16 C17 142.8(3) . . . . ?
C22 P2 C16 C21 -42.1(3) . . . . ?
C22 P2 C28 B2 63.1(3) . . . . ?
C22 C23 C24 C25 0.7(6) . . . . ?
C23 C22 C27 C26 0.5(6) . . . . ?
C23 C24 C25 C26 -0.8(7) . . . . ?
C24 C25 C26 C27 0.8(7) . . . . ?
C25 C26 C27 C22 -0.6(6) . . . . ?
C27 C22 C23 C24 -0.6(6) . . . . ?
C28 P2 C16 C17 37.3(3) . . . . ?
C28 P2 C16 C21 -147.6(3) . . . . ?
C28 P2 C22 C23 -116.2(3) . . . . ?
C28 P2 C22 C27 58.9(3) . . . . ?
C31 P3 C37 C38 107.1(3) . . . . ?
C31 P3 C37 C42 -73.5(4) . . . . ?
C31 P3 C43 B3 -77.1(3) . . . . ?
C31 C32 C33 C34 1.5(7) . . . . ?
C32 C31 C36 C35 0.8(6) . . . . ?
C32 C33 C34 C35 -0.3(8) . . . . ?
C33 C34 C35 C36 -0.7(7) . . . . ?
C34 C35 C36 C31 0.5(6) . . . . ?
C36 C31 C32 C33 -1.7(6) . . . . ?
C37 P3 C31 C32 -6.6(4) . . . . ?
C37 P3 C31 C36 168.7(3) . . . . ?
C37 P3 C43 B3 179.8(3) . . . . ?
C37 C38 C39 C40 0.8(6) . . . . ?
C38 C37 C42 C41 1.4(6) . . . . ?
C38 C39 C40 C41 1.0(6) . . . . ?
C39 C40 C41 C42 -1.6(7) . . . . ?
C40 C41 C42 C37 0.4(7) . . . . ?
C42 C37 C38 C39 -2.0(6) . . . . ?
C43 P3 C31 C32 -111.1(4) . . . . ?
C43 P3 C31 C36 64.2(3) . . . . ?
C43 P3 C37 C38 -152.6(3) . . . . ?
C43 P3 C37 C42 26.9(4) . . . . ?
Rh2 P4 C46 C47 -91.7(3) . . . . ?
Rh2 P4 C46 C51 86.8(3) . . . . ?
Rh2 P4 C52 C53 -2.3(4) . . . . ?
Rh2 P4 C52 C57 171.4(3) . . . . ?
Rh2 P4 C58 B4 -52.3(3) . . . . ?
Rh2 P5 C61 C62 -57.5(3) . . . . ?
Rh2 P5 C61 C66 122.1(3) . . . . ?
Rh2 P5 C67 C68 174.9(3) . . . . ?
Rh2 P5 C67 C72 -4.8(4) . . . . ?
Rh2 P5 C73 B5 -61.0(3) . . . . ?
Rh2 P6 C76 C77 -38.6(4) . . . . ?
Rh2 P6 C76 C81 141.1(3) . . . . ?
Rh2 P6 C82 C83 116.2(3) . . . . ?
Rh2 P6 C82 C87 -67.1(3) . . . . ?
Rh2 P6 C88 B6 46.8(4) . . . . ?
P4 C46 C47 C48 180.0(3) . . . . ?
P4 C46 C51 C50 -179.1(3) . . . . ?
P4 C52 C53 C54 175.2(3) . . . . ?
P4 C52 C57 C56 -174.5(3) . . . . ?
P4 C58 B4 Cl2 47.7(3) . . . . ?
P4 C58 B4 C59 157.2(3) . . . . ?
P4 C58 B4 C60 -61.4(4) . . . . ?
P5 C61 C62 C63 179.4(3) . . . . ?
P5 C61 C66 C65 -179.9(3) . . . . ?
P5 C67 C68 C69 178.0(4) . . . . ?
P5 C67 C72 C71 -177.4(4) . . . . ?
P5 C73 B5 Cl2 38.6(3) . . . . ?
P5 C73 B5 C74 139.8(3) . . . . ?
P5 C73 B5 C75 -65.4(5) . . . . ?
P6 C76 C77 C78 177.4(3) . . . . ?
P6 C76 C81 C80 -177.2(3) . . . . ?
P6 C82 C83 C84 175.1(3) . . . . ?
P6 C82 C87 C86 -175.5(3) . . . . ?
P6 C88 B6 C89 125.0(5) . . . . ?
P6 C88 B6 C90 -64.2(5) . . . . ?
C46 P4 C52 C53 133.9(3) . . . . ?
C46 P4 C52 C57 -52.5(4) . . . . ?
C46 P4 C58 B4 169.7(3) . . . . ?
C46 C47 C48 C49 -1.2(7) . . . . ?
C47 C46 C51 C50 -0.5(6) . . . . ?
C47 C48 C49 C50 0.1(7) . . . . ?
C48 C49 C50 C51 0.8(7) . . . . ?
C49 C50 C51 C46 -0.6(6) . . . . ?
C51 C46 C47 C48 1.4(6) . . . . ?
C52 P4 C46 C47 143.1(3) . . . . ?
C52 P4 C46 C51 -38.4(4) . . . . ?
C52 P4 C58 B4 65.0(3) . . . . ?
C52 C53 C54 C55 -1.5(7) . . . . ?
C53 C52 C57 C56 -0.7(6) . . . . ?
C53 C54 C55 C56 0.6(7) . . . . ?
C54 C55 C56 C57 0.2(7) . . . . ?
C55 C56 C57 C52 -0.1(6) . . . . ?
C57 C52 C53 C54 1.5(6) . . . . ?
C58 P4 C46 C47 36.4(4) . . . . ?
C58 P4 C46 C51 -145.0(3) . . . . ?
C58 P4 C52 C53 -120.1(3) . . . . ?
C58 P4 C52 C57 53.6(3) . . . . ?
C61 P5 C67 C68 -52.7(4) . . . . ?
C61 P5 C67 C72 127.6(3) . . . . ?
C61 P5 C73 B5 174.0(3) . . . . ?
C61 C62 C63 C64 0.0(7) . . . . ?
C62 C61 C66 C65 -0.3(5) . . . . ?
C62 C63 C64 C65 0.7(7) . . . . ?
C63 C64 C65 C66 -1.2(6) . . . . ?
C64 C65 C66 C61 1.0(6) . . . . ?
C66 C61 C62 C63 -0.2(6) . . . . ?
C67 P5 C61 C62 170.1(3) . . . . ?
C67 P5 C61 C66 -10.3(4) . . . . ?
C67 P5 C73 B5 66.2(3) . . . . ?
C67 C68 C69 C70 0.4(8) . . . . ?
C68 C67 C72 C71 2.9(7) . . . . ?
C68 C69 C70 C71 1.0(9) . . . . ?
C69 C70 C71 C72 -0.5(9) . . . . ?
C70 C71 C72 C67 -1.5(8) . . . . ?
C72 C67 C68 C69 -2.3(7) . . . . ?
C73 P5 C61 C62 61.4(3) . . . . ?
C73 P5 C61 C66 -119.1(3) . . . . ?
C73 P5 C67 C68 53.1(4) . . . . ?
C73 P5 C67 C72 -126.5(3) . . . . ?
C76 P6 C82 C83 -16.2(4) . . . . ?
C76 P6 C82 C87 160.4(3) . . . . ?
C76 P6 C88 B6 174.9(3) . . . . ?
C76 C77 C78 C79 0.7(7) . . . . ?
C77 C76 C81 C80 2.6(6) . . . . ?
C77 C78 C79 C80 0.7(7) . . . . ?
C78 C79 C80 C81 -0.5(7) . . . . ?
C79 C80 C81 C76 -1.2(7) . . . . ?
C81 C76 C77 C78 -2.3(6) . . . . ?
C82 P6 C76 C77 95.5(3) . . . . ?
C82 P6 C76 C81 -84.7(4) . . . . ?
C82 P6 C88 B6 -82.2(4) . . . . ?
C82 C83 C84 C85 -0.6(6) . . . . ?
C83 C82 C87 C86 1.2(6) . . . . ?
C83 C84 C85 C86 2.8(7) . . . . ?
C84 C85 C86 C87 -3.0(7) . . . . ?
C85 C86 C87 C82 1.0(7) . . . . ?
C87 C82 C83 C84 -1.4(6) . . . . ?
C88 P6 C76 C77 -162.7(3) . . . . ?
C88 P6 C76 C81 17.0(4) . . . . ?
C88 P6 C82 C83 -121.0(3) . . . . ?
C88 P6 C82 C87 55.6(3) . . . . ?
