#------------------------------------------------------------------------------
#$Date: 2022-04-14 00:55:50 +0300 (Thu, 14 Apr 2022) $
#$Revision: 274510 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/99/7129977.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_7129977
loop_
_publ_author_name
'Yue, Erlin'
'Petrov, Andrey'
'Frost, Daniel Sebastian'
'Dettling, Lea'
'Conrad, Lawrence'
'Wossidlo, Friedrich'
'Coles, Nathan Thomas'
'Weber, Manuela'
'Muller, Christian'
_publ_section_title
;
 Highly Flexible Phosphabenzenes: A Missing Coordination Mode of
 2,4,6-Triaryl-λ3-Phosphinines
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/D2CC01817A
_journal_year                    2022
_chemical_formula_moiety         'C32 H12 B F24, C66 H58 Cr2 O6 P2 Rh'
_chemical_formula_sum            'C98 H70 B Cr2 F24 O6 P2 Rh'
_chemical_formula_weight         2079.20
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2021-10-04
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6403)
;
_audit_update_record
;
2021-10-04 deposited with the CCDC.	2022-04-13 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.1304(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.25337(7)
_cell_length_b                   32.9923(2)
_cell_length_c                   29.7568(2)
_cell_measurement_reflns_used    9405
_cell_measurement_temperature    102.6
_cell_measurement_theta_max      72.575
_cell_measurement_theta_min      3.074
_cell_volume                     10059.24(11)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2018)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL  (Sheldrick, 2008)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      102.6
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'Bruker Photon CMOS Detector, D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0878
_diffrn_reflns_av_unetI/netI     0.0650
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.985
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            93226
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.442
_diffrn_reflns_theta_min         2.000
_exptl_absorpt_coefficient_mu    4.189
_exptl_absorpt_correction_T_max  0.4696
_exptl_absorpt_correction_T_min  0.2458
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1606 before and 0.1112 after correction.
The Ratio of minimum to maximum transmission is 0.5234.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.373
_exptl_crystal_description       needle
_exptl_crystal_F_000             4200
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: Toluene, DCM'
_exptl_crystal_size_max          0.61
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.532
_refine_diff_density_min         -1.970
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.099
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1280
_refine_ls_number_reflns         19639
_refine_ls_number_restraints     124
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.1049
_refine_ls_R_factor_gt           0.0951
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0301P)²+112.0776P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2193
_refine_ls_wR_factor_ref         0.2246
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17084
_reflns_number_total             19639
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc01817a2.cif
_cod_data_source_block           ap1217_sq
_cod_original_cell_volume        10059.25(13)
_cod_database_code               7129977
_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_max   0.850
_shelx_estimated_absorpt_t_min   0.184
_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. Restrained distances
 C98-C95 \\sim C98-F19A \\sim C98-F20A \\sim C98-F21A
 with sigma of 0.02
 C98-F20B \\sim C98-F19B \\sim C98-F21B \\sim C98-C95
 with sigma of 0.02
 F19A-F20A \\sim F19A-F21A \\sim F20A-F21A
 with sigma of 0.04
 C98-F19A \\sim C98-F20A \\sim C98-F21A \\sim C98-C95
 with sigma of 0.02
 F20B-F19B \\sim F20B-F21B \\sim F19B-F21B
 with sigma of 0.04
 F5-F6 \\sim F5-F4 \\sim F6-F4
 with sigma of 0.04
 C74-F5 \\sim C74-F6 \\sim C74-F4 \\sim C74-C71
 with sigma of 0.02
 F5A-F6A \\sim F4A-F6A
 with sigma of 0.04
 C74-F5A \\sim C74-F4A \\sim C74-F6A \\sim C74-C71
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 F19A, C98, F20A, F21A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C98
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C98, F21A, F19A, F20A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C98, F21B, F19B, F20B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 F4, F6, C74, F5
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 H86, C74, F6A, F5A, F4A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Others
 Sof(F19B)=Sof(F21B)=Sof(F20B)=1-FVAR(1)
 Sof(F19A)=Sof(F20A)=Sof(F21A)=FVAR(1)
 Sof(F4A)=Sof(F6A)=Sof(F5A)=1-FVAR(2)
 Sof(F5)=Sof(F4)=Sof(F6)=FVAR(2)
 Sof(C56B)=Sof(H56D)=Sof(H56E)=Sof(H56F)=1-FVAR(3)
 Sof(C56A)=Sof(H56A)=Sof(H56B)=Sof(H56C)=FVAR(3)
5.a Ternary CH refined with riding coordinates:
 C2(H2), C4(H4), C31(H31), C33(H33), C59(H59), C60(H60), C63(H63), C64(H64)
5.b Secondary CH2 refined with riding coordinates:
 C61(H61A,H61B), C62(H62A,H62B), C65(H65A,H65B), C66(H66A,H66B)
5.c Aromatic/amide H refined with riding coordinates:
 C68(H68), C70(H70), C72(H72), C76(H76), C78(H78), C80(H80), C84(H84),
 C86(H86), C88(H88), C92(H92), C94(H94), C96(H96), C7(H7), C8(H8), C10(H10),
 C11(H11), C13(H13), C14(H14), C16(H16), C17(H17), C19(H19), C20(H20), C22(H22),
  C23(H23), C36(H36), C37(H37), C39(H39), C40(H40), C42(H42), C43(H43),
 C45(H45), C46(H46), C48(H48), C49(H49), C51(H51), C52(H52)
5.d Idealised Me refined as rotating group:
 C27(H27A,H27B,H27C), C28(H28A,H28B,H28C), C29(H29A,H29B,H29C), C56A(H56A,H56B,
 H56C), C57(H57A,H57B,H57C), C58(H58A,H58B,H58C), C56B(H56D,H56E,H56F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
F1 F 0.2638(5) 0.41573(14) 0.5657(2) 0.0590(14) Uani 1 1 d . . . . .
F2 F 0.3731(6) 0.38054(13) 0.61414(16) 0.0542(13) Uani 1 1 d . . . . .
F3 F 0.4566(5) 0.39566(13) 0.55176(16) 0.0466(11) Uani 1 1 d . . . . .
F7 F 0.8123(6) 0.6089(2) 0.7518(2) 0.0808(18) Uani 1 1 d . . . . .
F8 F 0.7766(7) 0.6323(2) 0.6881(2) 0.090(2) Uani 1 1 d . . . . .
F9 F 0.7406(7) 0.6688(2) 0.7447(4) 0.140(4) Uani 1 1 d . . . . .
F10 F 0.1745(7) 0.65096(19) 0.6856(2) 0.084(2) Uani 1 1 d . . . . .
F11 F 0.2767(6) 0.69490(15) 0.72626(19) 0.0687(16) Uani 1 1 d . . . . .
F12 F 0.1652(6) 0.64909(18) 0.7574(2) 0.0779(18) Uani 1 1 d . . . . .
F13 F -0.0549(4) 0.49801(14) 0.64115(14) 0.0418(10) Uani 1 1 d . . . . .
F14 F -0.0827(6) 0.54912(17) 0.68224(18) 0.0688(17) Uani 1 1 d . . . . .
F15 F -0.1851(5) 0.4933(3) 0.6951(2) 0.093(2) Uani 1 1 d . . . . .
F16 F 0.1948(5) 0.43706(14) 0.85272(15) 0.0456(11) Uani 1 1 d . . . . .
F17 F 0.0354(6) 0.40652(16) 0.81828(19) 0.0661(15) Uani 1 1 d . . . . .
F18 F 0.0041(5) 0.46397(18) 0.85023(17) 0.0604(15) Uani 1 1 d . . . . .
F19A F 0.7486(16) 0.3789(3) 0.7367(4) 0.102(6) Uani 0.80(2) 1 d D . P A 1
F20A F 0.5973(7) 0.35753(19) 0.7761(4) 0.065(3) Uani 0.80(2) 1 d D . P A 1
F21A F 0.7801(11) 0.3700(3) 0.8071(4) 0.084(4) Uani 0.80(2) 1 d D . P A 1
F22 F 0.7648(6) 0.53878(19) 0.86385(19) 0.0723(17) Uani 1 1 d . . . . .
F23 F 0.5865(5) 0.5230(2) 0.89290(17) 0.0702(17) Uani 1 1 d . . . . .
F24 F 0.7523(6) 0.48406(18) 0.90239(16) 0.0703(17) Uani 1 1 d . . . . .
C67 C 0.4556(6) 0.49610(19) 0.6684(2) 0.0269(14) Uani 1 1 d . . . . .
C68 C 0.4098(6) 0.4598(2) 0.6488(2) 0.0257(13) Uani 1 1 d . . . . .
H68 H 0.358434 0.442063 0.666064 0.031 Uiso 1 1 calc R U . . .
C69 C 0.4379(6) 0.44885(19) 0.6045(2) 0.0247(13) Uani 1 1 d . . . . .
C70 C 0.5087(6) 0.4741(2) 0.5780(2) 0.0273(14) Uani 1 1 d . . . . .
H70 H 0.525037 0.466963 0.547799 0.033 Uiso 1 1 calc R U . . .
C71 C 0.5569(7) 0.5108(2) 0.5962(2) 0.0297(14) Uani 1 1 d D . . . .
C72 C 0.5286(7) 0.5209(2) 0.6405(2) 0.0287(14) Uani 1 1 d . . . . .
H72 H 0.560686 0.545885 0.652329 0.034 Uiso 1 1 calc R U . . .
C73 C 0.3823(7) 0.4106(2) 0.5844(2) 0.0295(14) Uani 1 1 d . . . . .
C74 C 0.6334(7) 0.5375(2) 0.5690(2) 0.0384(16) Uani 1 1 d D . . . .
C75 C 0.4424(7) 0.5580(2) 0.7261(2) 0.0324(15) Uani 1 1 d . . . . .
C76 C 0.5679(8) 0.5749(2) 0.7281(2) 0.0332(16) Uani 1 1 d . . . . .
H76 H 0.640794 0.557186 0.729846 0.040 Uiso 1 1 calc R U . . .
C77 C 0.5909(9) 0.6168(2) 0.7277(3) 0.0411(18) Uani 1 1 d . . . . .
C78 C 0.4853(9) 0.6438(2) 0.7267(3) 0.045(2) Uani 1 1 d . . . . .
H78 H 0.499035 0.672232 0.726419 0.054 Uiso 1 1 calc R U . . .
C79 C 0.3608(9) 0.6278(2) 0.7263(2) 0.0389(18) Uani 1 1 d . . . . .
C80 C 0.3400(8) 0.5860(2) 0.7260(2) 0.0358(16) Uani 1 1 d . . . . .
H80 H 0.252861 0.576151 0.725633 0.043 Uiso 1 1 calc R U . . .
C81 C 0.7246(11) 0.6324(3) 0.7288(4) 0.058(2) Uani 1 1 d . . . . .
C82 C 0.2482(10) 0.6559(3) 0.7245(3) 0.053(2) Uani 1 1 d . . . . .
C83 C 0.2761(7) 0.49453(19) 0.7322(2) 0.0288(14) Uani 1 1 d . . . . .
C84 C 0.1685(7) 0.5041(2) 0.7040(2) 0.0336(15) Uani 1 1 d . . . . .
H84 H 0.183152 0.517171 0.676233 0.040 Uiso 1 1 calc R U . . .
C85 C 0.0403(7) 0.4953(2) 0.7150(2) 0.0323(15) Uani 1 1 d . . . . .
C86 C 0.0141(7) 0.4752(2) 0.7542(2) 0.0336(15) Uani 1 1 d . . . . .
H86 H -0.072895 0.468540 0.761334 0.040 Uiso 1 1 calc R U . . .
C87 C 0.1186(7) 0.4649(2) 0.7831(2) 0.0334(15) Uani 1 1 d . . . . .
C88 C 0.2454(7) 0.4739(2) 0.7719(2) 0.0332(15) Uani 1 1 d . . . . .
H88 H 0.314833 0.465730 0.791919 0.040 Uiso 1 1 calc R U . . .
C89 C -0.0712(8) 0.5086(3) 0.6838(2) 0.0415(18) Uani 1 1 d . . . . .
C90 C 0.0881(8) 0.4434(2) 0.8257(3) 0.0437(19) Uani 1 1 d . . . . .
C91 C 0.5274(7) 0.4855(2) 0.7569(2) 0.0272(14) Uani 1 1 d . . . . .
C92 C 0.5669(7) 0.5041(2) 0.7979(2) 0.0321(15) Uani 1 1 d . . . . .
H92 H 0.538307 0.530899 0.803752 0.039 Uiso 1 1 calc R U . . .
C93 C 0.6458(7) 0.4847(2) 0.8298(2) 0.0327(16) Uani 1 1 d . . . . .
C94 C 0.6910(7) 0.4457(2) 0.8234(2) 0.0338(16) Uani 1 1 d . . . . .
H94 H 0.745921 0.432779 0.845484 0.041 Uiso 1 1 calc R U . . .
C95 C 0.6532(7) 0.4257(2) 0.7832(2) 0.0331(15) Uani 1 1 d D . . . .
C96 C 0.5750(7) 0.4461(2) 0.7508(2) 0.0297(14) Uani 1 1 d . . . . .
H96 H 0.553159 0.432632 0.723351 0.036 Uiso 1 1 calc R U . . .
C97 C 0.6872(9) 0.5081(3) 0.8724(3) 0.048(2) Uani 1 1 d . . . . .
C98 C 0.6942(7) 0.3847(2) 0.7759(2) 0.0391(15) Uani 1 1 d D . . . .
B1 B 0.4256(8) 0.5084(2) 0.7205(2) 0.0272(16) Uani 1 1 d . . . . .
Rh1 Rh 0.85660(5) 0.32174(2) 0.58159(2) 0.02382(13) Uani 1 1 d . . . . .
Cr1 Cr 1.05741(10) 0.27064(3) 0.45946(4) 0.0250(2) Uani 1 1 d . . . . .
Cr2 Cr 0.50061(11) 0.25417(3) 0.62253(4) 0.0288(3) Uani 1 1 d . . . . .
P1 P 0.90078(16) 0.29052(5) 0.51446(6) 0.0240(3) Uani 1 1 d . . . . .
P2 P 0.71560(16) 0.27022(5) 0.59603(6) 0.0250(3) Uani 1 1 d . . . . .
O1 O 1.2174(5) 0.34536(15) 0.48197(18) 0.0378(12) Uani 1 1 d . . . . .
O2 O 1.2114(6) 0.2628(2) 0.3748(2) 0.0637(19) Uani 1 1 d . . . . .
O3 O 1.2635(5) 0.21553(16) 0.50092(19) 0.0416(13) Uani 1 1 d . . . . .
O4 O 0.5155(6) 0.33069(18) 0.6784(2) 0.0487(14) Uani 1 1 d . . . . .
O5 O 0.2853(5) 0.29090(17) 0.56505(18) 0.0422(13) Uani 1 1 d . . . . .
O6 O 0.2846(5) 0.2291(2) 0.68278(19) 0.0518(16) Uani 1 1 d . . . . .
C1 C 0.9146(6) 0.23868(19) 0.5033(2) 0.0244(13) Uani 1 1 d . . . . .
C2 C 0.9068(6) 0.22232(19) 0.4596(2) 0.0247(13) Uani 1 1 d . . . . .
H2 H 0.938023 0.193818 0.456096 0.030 Uiso 1 1 calc R U . . .
C3 C 0.8856(6) 0.2450(2) 0.4196(2) 0.0251(13) Uani 1 1 d . . . . .
C4 C 0.8739(6) 0.2878(2) 0.4211(2) 0.0247(13) Uani 1 1 d . . . . .
H4 H 0.885539 0.302376 0.392040 0.030 Uiso 1 1 calc R U . . .
C5 C 0.8813(6) 0.31184(19) 0.4599(2) 0.0253(13) Uani 1 1 d . . . . .
C6 C 0.9326(6) 0.20951(19) 0.5419(2) 0.0273(14) Uani 1 1 d . . . . .
C7 C 0.8548(7) 0.1752(2) 0.5427(2) 0.0301(14) Uani 1 1 d . . . . .
H7 H 0.794905 0.170039 0.518278 0.036 Uiso 1 1 calc R U . . .
C8 C 0.8623(8) 0.1482(2) 0.5785(3) 0.0376(17) Uani 1 1 d . . . . .
H8 H 0.805848 0.125362 0.578735 0.045 Uiso 1 1 calc R U . . .
C9 C 0.9523(8) 0.1544(2) 0.6140(3) 0.0398(18) Uani 1 1 d . . . . .
C10 C 1.0330(7) 0.1882(2) 0.6119(2) 0.0353(16) Uani 1 1 d . . . . .
H10 H 1.096883 0.192504 0.635390 0.042 Uiso 1 1 calc R U . . .
C11 C 1.0235(7) 0.2159(2) 0.5770(2) 0.0299(14) Uani 1 1 d . . . . .
H11 H 1.078747 0.238987 0.577007 0.036 Uiso 1 1 calc R U . . .
C12 C 0.8698(7) 0.2225(2) 0.3759(2) 0.0286(14) Uani 1 1 d . . . . .
C13 C 0.9007(7) 0.2401(2) 0.3344(2) 0.0317(15) Uani 1 1 d . . . . .
H13 H 0.939142 0.266323 0.333551 0.038 Uiso 1 1 calc R U . . .
C14 C 0.8742(7) 0.2187(2) 0.2948(3) 0.0370(17) Uani 1 1 d . . . . .
H14 H 0.893765 0.230766 0.266847 0.044 Uiso 1 1 calc R U . . .
C15 C 0.8208(7) 0.1807(2) 0.2948(2) 0.0348(16) Uani 1 1 d . . . . .
C16 C 0.7916(9) 0.1631(2) 0.3358(3) 0.0447(19) Uani 1 1 d . . . . .
H16 H 0.755308 0.136581 0.336662 0.054 Uiso 1 1 calc R U . . .
C17 C 0.8159(8) 0.1845(2) 0.3753(2) 0.0383(17) Uani 1 1 d . . . . .
H17 H 0.794412 0.172319 0.403035 0.046 Uiso 1 1 calc R U . . .
C18 C 0.8706(6) 0.35689(19) 0.4548(2) 0.0258(13) Uani 1 1 d . . . . .
C19 C 0.9462(7) 0.3775(2) 0.4240(3) 0.0347(16) Uani 1 1 d . . . . .
H19 H 1.005138 0.362807 0.406211 0.042 Uiso 1 1 calc R U . . .
C20 C 0.9356(8) 0.4193(2) 0.4193(3) 0.0387(17) Uani 1 1 d . . . . .
H20 H 0.987216 0.432559 0.397871 0.046 Uiso 1 1 calc R U . . .
C21 C 0.8520(7) 0.4423(2) 0.4448(2) 0.0329(16) Uani 1 1 d . . . . .
C22 C 0.7753(7) 0.4216(2) 0.4752(2) 0.0319(15) Uani 1 1 d . . . . .
H22 H 0.715345 0.436188 0.492568 0.038 Uiso 1 1 calc R U . . .
C23 C 0.7858(6) 0.3797(2) 0.4802(2) 0.0279(14) Uani 1 1 d . . . . .
H23 H 0.733941 0.366371 0.501461 0.033 Uiso 1 1 calc R U . . .
C24 C 1.1838(7) 0.2370(2) 0.4849(2) 0.0320(15) Uani 1 1 d . . . . .
C25 C 1.1578(7) 0.3164(2) 0.4742(2) 0.0323(15) Uani 1 1 d . . . . .
C26 C 1.1505(7) 0.2667(2) 0.4069(2) 0.0372(17) Uani 1 1 d . . . . .
C27 C 0.7864(9) 0.1578(3) 0.2511(3) 0.049(2) Uani 1 1 d . . . . .
H27A H 0.791743 0.176417 0.225540 0.074 Uiso 1 1 calc R U . . .
H27B H 0.697463 0.147069 0.252256 0.074 Uiso 1 1 calc R U . . .
H27C H 0.847862 0.135430 0.247562 0.074 Uiso 1 1 calc R U . . .
C28 C 0.9615(11) 0.1249(3) 0.6522(3) 0.069(3) Uani 1 1 d . . . . .
H28A H 0.884932 0.127751 0.670672 0.103 Uiso 1 1 calc R U . . .
H28B H 1.040784 0.130339 0.670630 0.103 Uiso 1 1 calc R U . . .
H28C H 0.964990 0.097205 0.640305 0.103 Uiso 1 1 calc R U . . .
C29 C 0.8418(9) 0.4876(2) 0.4398(3) 0.0435(19) Uani 1 1 d . . . . .
H29A H 0.929569 0.499319 0.439230 0.065 Uiso 1 1 calc R U . . .
H29B H 0.795858 0.498842 0.465307 0.065 Uiso 1 1 calc R U . . .
H29C H 0.793439 0.494127 0.411757 0.065 Uiso 1 1 calc R U . . .
C30 C 0.6054(6) 0.24599(19) 0.5585(2) 0.0263(14) Uani 1 1 d . . . . .
C31 C 0.5398(7) 0.2091(2) 0.5687(3) 0.0318(15) Uani 1 1 d . . . . .
H31 H 0.463865 0.201674 0.548244 0.038 Uiso 1 1 calc R U . . .
C32 C 0.5492(7) 0.1887(2) 0.6101(3) 0.0352(16) Uani 1 1 d . . . . .
C33 C 0.6314(7) 0.2042(2) 0.6460(3) 0.0348(16) Uani 1 1 d . . . . .
H33 H 0.615474 0.193172 0.676605 0.042 Uiso 1 1 calc R U . . .
C34 C 0.7075(6) 0.2391(2) 0.6445(2) 0.0284(14) Uani 1 1 d . . . . .
C35 C 0.5766(6) 0.2654(2) 0.5137(2) 0.0250(13) Uani 1 1 d . . . . .
C36 C 0.5466(6) 0.3066(2) 0.5093(2) 0.0255(13) Uani 1 1 d . . . . .
H36 H 0.545351 0.322999 0.535459 0.031 Uiso 1 1 calc R U . . .
C37 C 0.5188(7) 0.3238(2) 0.4681(2) 0.0335(15) Uani 1 1 d . . . . .
H37 H 0.496181 0.351718 0.466247 0.040 Uiso 1 1 calc R U . . .
C38 C 0.5235(7) 0.3005(2) 0.4285(2) 0.0349(16) Uani 1 1 d . . . . .
C39 C 0.5525(8) 0.2595(3) 0.4330(3) 0.0428(19) Uani 1 1 d . . . . .
H39 H 0.555588 0.243252 0.406727 0.051 Uiso 1 1 calc R U . . .
C40 C 0.5771(7) 0.2414(2) 0.4745(2) 0.0301(14) Uani 1 1 d . . . . .
H40 H 0.594157 0.213104 0.476455 0.036 Uiso 1 1 calc R U . . .
C41 C 0.4706(8) 0.1517(2) 0.6162(3) 0.046(2) Uani 1 1 d . . . . .
C42 C 0.3470(7) 0.1475(2) 0.5969(3) 0.045(2) Uani 1 1 d . . . . .
H42 H 0.310530 0.169309 0.579814 0.054 Uiso 1 1 calc R U . . .
C43 C 0.2745(9) 0.1125(3) 0.6017(4) 0.070(3) Uani 1 1 d . . . . .
H43 H 0.190305 0.110533 0.587517 0.084 Uiso 1 1 calc R U . . .
C44 C 0.3232(10) 0.0806(3) 0.6269(5) 0.077(4) Uani 1 1 d . . . . .
C45 C 0.4462(9) 0.0848(3) 0.6474(4) 0.078(4) Uani 1 1 d . . . . .
H45 H 0.480521 0.063273 0.665482 0.093 Uiso 1 1 calc R U . . .
C46 C 0.5204(9) 0.1195(3) 0.6421(4) 0.056(3) Uani 1 1 d . . . . .
H46 H 0.604998 0.121332 0.656086 0.067 Uiso 1 1 calc R U . . .
C47 C 0.7805(7) 0.2513(2) 0.6872(2) 0.0317(15) Uani 1 1 d . . . . .
C48 C 0.7120(7) 0.2576(2) 0.7271(3) 0.0384(18) Uani 1 1 d . . . . .
H48 H 0.619868 0.254468 0.726916 0.046 Uiso 1 1 calc R U . . .
C49 C 0.7798(8) 0.2684(2) 0.7664(3) 0.0381(17) Uani 1 1 d . . . . .
H49 H 0.732753 0.272631 0.792943 0.046 Uiso 1 1 calc R U . . .
C50 C 0.9134(7) 0.2732(2) 0.7683(2) 0.0348(16) Uani 1 1 d . . . . .
C51 C 0.9810(8) 0.2663(2) 0.7290(3) 0.0388(17) Uani 1 1 d . . . . .
H51 H 1.073405 0.268683 0.729672 0.047 Uiso 1 1 calc R U . . .
C52 C 0.9155(7) 0.2561(2) 0.6891(3) 0.0360(16) Uani 1 1 d . . . . .
H52 H 0.963264 0.252365 0.662704 0.043 Uiso 1 1 calc R U . . .
C53 C 0.5105(7) 0.3015(2) 0.6574(2) 0.0331(16) Uani 1 1 d . . . . .
C54 C 0.3693(7) 0.2774(2) 0.5873(2) 0.0327(16) Uani 1 1 d . . . . .
C55 C 0.3689(7) 0.2376(2) 0.6603(3) 0.0385(17) Uani 1 1 d . . . . .
C56A C 0.257(5) 0.0355(15) 0.620(3) 0.081(15) Uani 0.45(11) 1 d . . P B 1
H56A H 0.174873 0.037896 0.602835 0.121 Uiso 0.45(11) 1 calc R U P B 1
H56B H 0.240506 0.023913 0.649949 0.121 Uiso 0.45(11) 1 calc R U P B 1
H56C H 0.317095 0.017848 0.604545 0.121 Uiso 0.45(11) 1 calc R U P B 1
C57 C 0.4991(9) 0.3201(3) 0.3828(3) 0.057(2) Uani 1 1 d . . . . .
H57A H 0.576016 0.335804 0.374833 0.085 Uiso 1 1 calc R U . . .
H57B H 0.423308 0.338144 0.383862 0.085 Uiso 1 1 calc R U . . .
H57C H 0.482081 0.299027 0.360083 0.085 Uiso 1 1 calc R U . . .
C58 C 0.9850(8) 0.2860(3) 0.8118(3) 0.048(2) Uani 1 1 d . . . . .
H58A H 1.059056 0.267781 0.817959 0.072 Uiso 1 1 calc R U . . .
H58B H 0.925195 0.284621 0.836718 0.072 Uiso 1 1 calc R U . . .
H58C H 1.016876 0.313833 0.808792 0.072 Uiso 1 1 calc R U . . .
C59 C 1.0538(7) 0.3471(2) 0.5940(3) 0.0326(15) Uani 1 1 d . . . . .
H59 H 1.122946 0.332454 0.577594 0.039 Uiso 1 1 calc R U . . .
C60 C 0.9878(6) 0.3751(2) 0.5680(2) 0.0293(15) Uani 1 1 d . . . . .
H60 H 1.016907 0.376501 0.536328 0.035 Uiso 1 1 calc R U . . .
C61 C 0.9314(7) 0.4147(2) 0.5851(3) 0.0358(16) Uani 1 1 d . . . . .
H61A H 0.936905 0.435630 0.561449 0.043 Uiso 1 1 calc R U . . .
H61B H 0.984462 0.423979 0.611629 0.043 Uiso 1 1 calc R U . . .
C62 C 0.7885(7) 0.4103(2) 0.5983(2) 0.0324(15) Uani 1 1 d . . . . .
H62A H 0.768338 0.432166 0.619729 0.039 Uiso 1 1 calc R U . . .
H62B H 0.731430 0.414166 0.571058 0.039 Uiso 1 1 calc R U . . .
C63 C 0.7564(7) 0.3702(2) 0.6192(2) 0.0313(15) Uani 1 1 d . . . . .
H63 H 0.660724 0.365461 0.622002 0.038 Uiso 1 1 calc R U . . .
C64 C 0.8338(6) 0.3493(2) 0.6509(2) 0.0265(14) Uani 1 1 d . . . . .
H64 H 0.783853 0.332139 0.671968 0.032 Uiso 1 1 calc R U . . .
C65 C 0.9634(7) 0.3641(2) 0.6700(3) 0.0379(17) Uani 1 1 d . . . . .
H65A H 0.973518 0.355301 0.701766 0.045 Uiso 1 1 calc R U . . .
H65B H 0.963991 0.394115 0.669616 0.045 Uiso 1 1 calc R U . . .
C66 C 1.0795(7) 0.3486(2) 0.6442(2) 0.0366(16) Uani 1 1 d . . . . .
H66A H 1.155582 0.366307 0.650902 0.044 Uiso 1 1 calc R U . . .
H66B H 1.102174 0.320977 0.655058 0.044 Uiso 1 1 calc R U . . .
F5 F 0.6959(10) 0.5673(3) 0.5908(2) 0.064(4) Uani 0.79(2) 1 d D . P C 1
F4 F 0.7334(11) 0.5179(2) 0.5503(4) 0.081(4) Uani 0.79(2) 1 d D . P C 1
F6 F 0.5655(10) 0.5544(4) 0.5350(4) 0.086(5) Uani 0.79(2) 1 d D . P C 1
F19B F 0.817(2) 0.3818(10) 0.7621(16) 0.070(11) Uani 0.20(2) 1 d D . P A 2
F21B F 0.699(5) 0.3593(10) 0.8110(9) 0.091(14) Uani 0.20(2) 1 d D . P A 2
F20B F 0.632(3) 0.3626(7) 0.7441(11) 0.061(11) Uani 0.20(2) 1 d D . P A 2
F4A F 0.619(5) 0.5313(13) 0.5244(5) 0.073(14) Uani 0.21(2) 1 d D . P C 2
F6A F 0.597(5) 0.5770(5) 0.5723(14) 0.10(2) Uani 0.21(2) 1 d D . P C 2
F5A F 0.7618(17) 0.5387(17) 0.5770(16) 0.10(2) Uani 0.21(2) 1 d D . P C 2
C56B C 0.233(3) 0.0464(12) 0.6406(19) 0.058(10) Uani 0.55(11) 1 d . . P B 2
H56D H 0.201160 0.051960 0.670586 0.087 Uiso 0.55(11) 1 calc R U P B 2
H56E H 0.281757 0.020778 0.641174 0.087 Uiso 0.55(11) 1 calc R U P B 2
H56F H 0.159416 0.044452 0.618901 0.087 Uiso 0.55(11) 1 calc R U P B 2
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'
B B 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr -0.1635 2.4439 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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
C68 C67 B1 122.0(6) . . ?
C72 C67 C68 115.5(6) . . ?
C72 C67 B1 122.5(6) . . ?
C67 C68 H68 119.0 . . ?
C67 C68 C69 122.0(6) . . ?
C69 C68 H68 119.0 . . ?
C68 C69 C73 120.1(6) . . ?
C70 C69 C68 120.9(6) . . ?
C70 C69 C73 118.9(6) . . ?
C69 C70 H70 120.5 . . ?
C69 C70 C71 119.1(6) . . ?
C71 C70 H70 120.5 . . ?
C70 C71 C74 119.9(6) . . ?
C72 C71 C70 119.0(6) . . ?
C72 C71 C74 121.1(6) . . ?
C67 C72 C71 123.5(6) . . ?
C67 C72 H72 118.3 . . ?
C71 C72 H72 118.3 . . ?
F1 C73 F2 106.6(6) . . ?
F1 C73 F3 106.1(6) . . ?
F1 C73 C69 112.9(5) . . ?
F2 C73 F3 105.1(5) . . ?
F2 C73 C69 113.3(6) . . ?
F3 C73 C69 112.3(6) . . ?
F5 C74 C71 116.2(6) . . ?
F5 C74 F4 101.2(7) . . ?
F5 C74 F6 106.8(7) . . ?
F4 C74 C71 112.2(6) . . ?
F6 C74 C71 113.7(7) . . ?
F6 C74 F4 105.7(8) . . ?
F4A C74 C71 114.8(14) . . ?
F4A C74 F6A 101(2) . . ?
F6A C74 C71 112.8(14) . . ?
F5A C74 C71 118.3(14) . . ?
F5A C74 F4A 104(3) . . ?
F5A C74 F6A 103(2) . . ?
C76 C75 B1 119.4(6) . . ?
C80 C75 C76 115.2(7) . . ?
C80 C75 B1 125.2(7) . . ?
C75 C76 H76 118.4 . . ?
C77 C76 C75 123.2(7) . . ?
C77 C76 H76 118.4 . . ?
C76 C77 C78 119.7(8) . . ?
C76 C77 C81 120.3(8) . . ?
C78 C77 C81 119.9(8) . . ?
C77 C78 H78 120.9 . . ?
C79 C78 C77 118.2(7) . . ?
C79 C78 H78 120.9 . . ?
C78 C79 C80 121.1(7) . . ?
C78 C79 C82 118.9(7) . . ?
C80 C79 C82 119.9(8) . . ?
C75 C80 H80 118.7 . . ?
C79 C80 C75 122.5(8) . . ?
C79 C80 H80 118.7 . . ?
F7 C81 C77 114.4(8) . . ?
F8 C81 F7 100.2(8) . . ?
F8 C81 C77 112.5(8) . . ?
F9 C81 F7 105.8(9) . . ?
F9 C81 F8 106.4(9) . . ?
F9 C81 C77 116.0(9) . . ?
F10 C82 C79 111.2(7) . . ?
F11 C82 F10 105.2(7) . . ?
F11 C82 F12 106.3(7) . . ?
F11 C82 C79 115.9(9) . . ?
F12 C82 F10 104.6(9) . . ?
F12 C82 C79 112.7(7) . . ?
C84 C83 C88 114.6(6) . . ?
C84 C83 B1 122.0(6) . . ?
C88 C83 B1 123.3(6) . . ?
C83 C84 H84 118.6 . . ?
C83 C84 C85 122.8(7) . . ?
C85 C84 H84 118.6 . . ?
C84 C85 C89 119.5(7) . . ?
C86 C85 C84 120.9(7) . . ?
C86 C85 C89 119.6(7) . . ?
C85 C86 H86 121.0 . . ?
C85 C86 C87 118.1(7) . . ?
C87 C86 H86 121.0 . . ?
C86 C87 C90 117.3(7) . . ?
C88 C87 C86 120.5(7) . . ?
C88 C87 C90 122.1(7) . . ?
C83 C88 H88 118.5 . . ?
C87 C88 C83 123.0(7) . . ?
C87 C88 H88 118.5 . . ?
F13 C89 F14 104.0(6) . . ?
F13 C89 C85 113.0(6) . . ?
F14 C89 C85 112.0(7) . . ?
F15 C89 F13 106.5(7) . . ?
F15 C89 F14 108.0(7) . . ?
F15 C89 C85 112.7(7) . . ?
F16 C90 C87 112.8(6) . . ?
F17 C90 F16 105.6(6) . . ?
F17 C90 C87 112.6(7) . . ?
F18 C90 F16 106.3(7) . . ?
F18 C90 F17 106.6(7) . . ?
F18 C90 C87 112.4(6) . . ?
C92 C91 B1 121.4(6) . . ?
C96 C91 C92 115.1(6) . . ?
C96 C91 B1 123.4(6) . . ?
C91 C92 H92 118.8 . . ?
C93 C92 C91 122.3(7) . . ?
C93 C92 H92 118.8 . . ?
C92 C93 C94 121.8(7) . . ?
C92 C93 C97 118.2(7) . . ?
C94 C93 C97 119.9(6) . . ?
C93 C94 H94 121.0 . . ?
C93 C94 C95 118.0(6) . . ?
C95 C94 H94 121.0 . . ?
C94 C95 C98 119.8(6) . . ?
C96 C95 C94 119.3(6) . . ?
C96 C95 C98 120.9(7) . . ?
C91 C96 C95 123.3(7) . . ?
C91 C96 H96 118.3 . . ?
C95 C96 H96 118.3 . . ?
F22 C97 F24 107.0(7) . . ?
F22 C97 C93 112.1(7) . . ?
F23 C97 F22 107.0(8) . . ?
F23 C97 F24 107.0(7) . . ?
F23 C97 C93 112.0(7) . . ?
F24 C97 C93 111.5(7) . . ?
F19A C98 F20A 104.1(8) . . ?
F19A C98 F21A 105.7(8) . . ?
F19A C98 C95 113.9(7) . . ?
F20A C98 F21A 102.8(7) . . ?
F20A C98 C95 114.1(6) . . ?
F21A C98 C95 115.1(7) . . ?
F19B C98 C95 113.5(14) . . ?
F21B C98 C95 118.3(17) . . ?
F21B C98 F19B 100.6(18) . . ?
F20B C98 C95 119.1(12) . . ?
F20B C98 F19B 100.0(16) . . ?
F20B C98 F21B 102.4(18) . . ?
C67 B1 C75 108.5(5) . . ?
C67 B1 C83 109.8(6) . . ?
C67 B1 C91 111.6(5) . . ?
C75 B1 C91 108.9(6) . . ?
C83 B1 C75 110.4(6) . . ?
C83 B1 C91 107.6(5) . . ?
P2 Rh1 P1 88.67(6) . . ?
C59 Rh1 P1 96.1(2) . . ?
C59 Rh1 P2 146.5(2) . . ?
C59 Rh1 C60 35.6(3) . . ?
C59 Rh1 C63 94.6(3) . . ?
C59 Rh1 C64 79.7(3) . . ?
C60 Rh1 P1 93.17(18) . . ?
C60 Rh1 P2 177.00(18) . . ?
C60 Rh1 C64 86.1(2) . . ?
C63 Rh1 P1 149.9(2) . . ?
C63 Rh1 P2 97.63(19) . . ?
C63 Rh1 C60 79.6(2) . . ?
C63 Rh1 C64 36.0(3) . . ?
C64 Rh1 P1 173.64(18) . . ?
C64 Rh1 P2 92.30(18) . . ?
C1 Cr1 P1 43.68(16) . . ?
C1 Cr1 C5 75.0(2) . . ?
C2 Cr1 P1 73.43(17) . . ?
C2 Cr1 C1 36.6(2) . . ?
C2 Cr1 C3 36.9(2) . . ?
C2 Cr1 C4 67.1(2) . . ?
C2 Cr1 C5 82.9(2) . . ?
C3 Cr1 P1 86.12(17) . . ?
C3 Cr1 C1 67.5(2) . . ?
C3 Cr1 C5 67.6(2) . . ?
C4 Cr1 P1 73.16(17) . . ?
C4 Cr1 C1 82.0(2) . . ?
C4 Cr1 C3 36.8(2) . . ?
C4 Cr1 C5 36.3(2) . . ?
C5 Cr1 P1 44.28(16) . . ?
C24 Cr1 P1 111.0(2) . . ?
C24 Cr1 C1 86.7(3) . . ?
C24 Cr1 C2 92.6(3) . . ?
C24 Cr1 C3 120.9(3) . . ?
C24 Cr1 C4 157.7(3) . . ?
C24 Cr1 C5 155.1(3) . . ?
C24 Cr1 C25 91.0(3) . . ?
C24 Cr1 C26 85.9(3) . . ?
C25 Cr1 P1 89.8(2) . . ?
C25 Cr1 C1 127.2(3) . . ?
C25 Cr1 C2 163.0(3) . . ?
C25 Cr1 C3 147.1(3) . . ?
C25 Cr1 C4 111.1(3) . . ?
C25 Cr1 C5 86.9(3) . . ?
C26 Cr1 P1 163.0(2) . . ?
C26 Cr1 C1 144.5(3) . . ?
C26 Cr1 C2 109.2(3) . . ?
C26 Cr1 C3 87.0(3) . . ?
C26 Cr1 C4 92.1(3) . . ?
C26 Cr1 C5 118.7(3) . . ?
C26 Cr1 C25 87.6(3) . . ?
C30 Cr2 P2 43.88(18) . . ?
C30 Cr2 C32 68.2(3) . . ?
C30 Cr2 C34 75.2(2) . . ?
C31 Cr2 P2 73.88(18) . . ?
C31 Cr2 C30 37.3(2) . . ?
C31 Cr2 C32 36.5(3) . . ?
C31 Cr2 C34 82.5(3) . . ?
C32 Cr2 P2 86.95(19) . . ?
C32 Cr2 C34 67.9(3) . . ?
C33 Cr2 P2 73.69(18) . . ?
C33 Cr2 C30 82.8(3) . . ?
C33 Cr2 C31 67.0(3) . . ?
C33 Cr2 C32 37.3(3) . . ?
C33 Cr2 C34 36.3(2) . . ?
C34 Cr2 P2 44.42(16) . . ?
C53 Cr2 P2 88.1(2) . . ?
C53 Cr2 C30 123.6(3) . . ?
C53 Cr2 C31 160.7(3) . . ?
C53 Cr2 C32 151.9(3) . . ?
C53 Cr2 C33 115.1(3) . . ?
C53 Cr2 C34 89.6(3) . . ?
C54 Cr2 P2 112.2(2) . . ?
C54 Cr2 C30 86.0(3) . . ?
C54 Cr2 C31 90.9(3) . . ?
C54 Cr2 C32 117.9(3) . . ?
C54 Cr2 C33 155.2(3) . . ?
C54 Cr2 C34 156.6(3) . . ?
C54 Cr2 C53 89.5(3) . . ?
C54 Cr2 C55 86.2(3) . . ?
C55 Cr2 P2 160.7(2) . . ?
C55 Cr2 C30 148.9(3) . . ?
C55 Cr2 C31 112.9(3) . . ?
C55 Cr2 C32 89.3(3) . . ?
C55 Cr2 C33 92.0(3) . . ?
C55 Cr2 C34 117.0(3) . . ?
C55 Cr2 C53 86.3(3) . . ?
Rh1 P1 Cr1 149.44(8) . . ?
C1 P1 Rh1 128.4(2) . . ?
C1 P1 Cr1 63.0(2) . . ?
C1 P1 C5 102.7(3) . . ?
C5 P1 Rh1 126.6(2) . . ?
C5 P1 Cr1 62.9(2) . . ?
Rh1 P2 Cr2 144.38(8) . . ?
C30 P2 Rh1 128.1(2) . . ?
C30 P2 Cr2 62.3(2) . . ?
C30 P2 C34 101.9(3) . . ?
C34 P2 Rh1 129.3(2) . . ?
C34 P2 Cr2 62.6(2) . . ?
P1 C1 Cr1 73.3(2) . . ?
C2 C1 Cr1 70.2(4) . . ?
C2 C1 P1 123.3(5) . . ?
C2 C1 C6 117.5(6) . . ?
C6 C1 Cr1 132.5(5) . . ?
C6 C1 P1 119.2(5) . . ?
Cr1 C2 H2 116.7 . . ?
C1 C2 Cr1 73.2(4) . . ?
C1 C2 H2 116.7 . . ?
C1 C2 C3 125.1(6) . . ?
C3 C2 Cr1 72.8(4) . . ?
C3 C2 H2 116.7 . . ?
C2 C3 Cr1 70.3(4) . . ?
C2 C3 C4 120.7(6) . . ?
C2 C3 C12 118.3(6) . . ?
C4 C3 Cr1 71.0(4) . . ?
C4 C3 C12 121.0(6) . . ?
C12 C3 Cr1 134.4(5) . . ?
Cr1 C4 H4 115.9 . . ?
C3 C4 Cr1 72.1(4) . . ?
C3 C4 H4 115.9 . . ?
C5 C4 Cr1 72.8(4) . . ?
C5 C4 C3 126.0(6) . . ?
C5 C4 H4 115.9 . . ?
P1 C5 Cr1 72.8(2) . . ?
C4 C5 Cr1 70.9(4) . . ?
C4 C5 P1 122.1(5) . . ?
C4 C5 C18 118.4(6) . . ?
C18 C5 Cr1 130.6(4) . . ?
C18 C5 P1 119.5(5) . . ?
C7 C6 C1 118.8(6) . . ?
C7 C6 C11 118.7(6) . . ?
C11 C6 C1 122.5(6) . . ?
C6 C7 H7 119.3 . . ?
C6 C7 C8 121.5(7) . . ?
C8 C7 H7 119.3 . . ?
C7 C8 H8 119.9 . . ?
C7 C8 C9 120.2(7) . . ?
C9 C8 H8 119.9 . . ?
C8 C9 C10 117.6(6) . . ?
C8 C9 C28 120.1(7) . . ?
C10 C9 C28 122.2(7) . . ?
C9 C10 H10 118.8 . . ?
C11 C10 C9 122.4(7) . . ?
C11 C10 H10 118.8 . . ?
C6 C11 H11 120.3 . . ?
C10 C11 C6 119.4(6) . . ?
C10 C11 H11 120.3 . . ?
C13 C12 C3 122.1(6) . . ?
C17 C12 C3 119.7(6) . . ?
C17 C12 C13 118.1(6) . . ?
C12 C13 H13 120.4 . . ?
C14 C13 C12 119.1(7) . . ?
C14 C13 H13 120.4 . . ?
C13 C14 H14 119.0 . . ?
C15 C14 C13 122.0(7) . . ?
C15 C14 H14 119.0 . . ?
C14 C15 C16 118.9(7) . . ?
C14 C15 C27 121.9(7) . . ?
C16 C15 C27 119.1(7) . . ?
C15 C16 H16 120.3 . . ?
C17 C16 C15 119.4(7) . . ?
C17 C16 H16 120.3 . . ?
C12 C17 C16 122.5(7) . . ?
C12 C17 H17 118.8 . . ?
C16 C17 H17 118.8 . . ?
C19 C18 C5 120.6(6) . . ?
C23 C18 C5 121.6(6) . . ?
C23 C18 C19 117.8(6) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 C18 120.3(7) . . ?
C20 C19 H19 119.8 . . ?
C19 C20 H20 118.9 . . ?
C19 C20 C21 122.2(7) . . ?
C21 C20 H20 118.9 . . ?
C20 C21 C22 117.3(6) . . ?
C20 C21 C29 122.0(7) . . ?
C22 C21 C29 120.7(7) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 C21 120.7(6) . . ?
C23 C22 H22 119.6 . . ?
C18 C23 H23 119.2 . . ?
C22 C23 C18 121.6(6) . . ?
C22 C23 H23 119.2 . . ?
O3 C24 Cr1 179.8(8) . . ?
O1 C25 Cr1 177.5(7) . . ?
O2 C26 Cr1 177.1(8) . . ?
C15 C27 H27A 109.5 . . ?
C15 C27 H27B 109.5 . . ?
C15 C27 H27C 109.5 . . ?
H27A C27 H27B 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C9 C28 H28A 109.5 . . ?
C9 C28 H28B 109.5 . . ?
C9 C28 H28C 109.5 . . ?
H28A C28 H28B 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C21 C29 H29A 109.5 . . ?
C21 C29 H29B 109.5 . . ?
C21 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
P2 C30 Cr2 73.8(2) . . ?
C31 C30 Cr2 71.2(4) . . ?
C31 C30 P2 123.5(5) . . ?
C31 C30 C35 118.2(6) . . ?
C35 C30 Cr2 128.4(4) . . ?
C35 C30 P2 118.3(5) . . ?
Cr2 C31 H31 116.3 . . ?
C30 C31 Cr2 71.5(4) . . ?
C30 C31 H31 116.3 . . ?
C32 C31 Cr2 72.4(5) . . ?
C32 C31 C30 125.2(7) . . ?
C32 C31 H31 116.3 . . ?
C31 C32 Cr2 71.1(4) . . ?
C31 C32 C33 120.2(6) . . ?
C31 C32 C41 118.9(7) . . ?
C33 C32 Cr2 70.2(4) . . ?
C33 C32 C41 120.8(7) . . ?
C41 C32 Cr2 130.3(5) . . ?
Cr2 C33 H33 116.0 . . ?
C32 C33 Cr2 72.5(4) . . ?
C32 C33 H33 116.0 . . ?
C34 C33 Cr2 73.1(4) . . ?
C34 C33 C32 126.0(6) . . ?
C34 C33 H33 116.0 . . ?
P2 C34 Cr2 73.0(2) . . ?
C33 C34 Cr2 70.6(4) . . ?
C33 C34 P2 123.1(6) . . ?
C33 C34 C47 117.2(6) . . ?
C47 C34 Cr2 128.2(5) . . ?
C47 C34 P2 119.5(5) . . ?
C36 C35 C30 122.3(6) . . ?
C36 C35 C40 118.3(6) . . ?
C40 C35 C30 119.4(6) . . ?
C35 C36 H36 119.1 . . ?
C37 C36 C35 121.7(6) . . ?
C37 C36 H36 119.1 . . ?
C36 C37 H37 119.7 . . ?
C36 C37 C38 120.5(7) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 C57 120.4(7) . . ?
C39 C38 C37 117.5(7) . . ?
C39 C38 C57 122.0(8) . . ?
C38 C39 H39 118.7 . . ?
C40 C39 C38 122.6(7) . . ?
C40 C39 H39 118.7 . . ?
C35 C40 H40 120.4 . . ?
C39 C40 C35 119.3(7) . . ?
C39 C40 H40 120.4 . . ?
C42 C41 C32 122.0(7) . . ?
C42 C41 C46 117.6(7) . . ?
C46 C41 C32 120.4(7) . . ?
C41 C42 H42 119.0 . . ?
C41 C42 C43 122.0(8) . . ?
C43 C42 H42 119.0 . . ?
C42 C43 H43 119.7 . . ?
C44 C43 C42 120.7(9) . . ?
C44 C43 H43 119.7 . . ?
C43 C44 C45 117.9(8) . . ?
C43 C44 C56A 119(2) . . ?
C43 C44 C56B 120.2(14) . . ?
C45 C44 C56A 120.4(18) . . ?
C45 C44 C56B 120.4(14) . . ?
C44 C45 H45 119.1 . . ?
C46 C45 C44 121.7(8) . . ?
C46 C45 H45 119.1 . . ?
C41 C46 H46 120.0 . . ?
C45 C46 C41 120.0(8) . . ?
C45 C46 H46 120.0 . . ?
C48 C47 C34 120.0(6) . . ?
C52 C47 C34 121.8(7) . . ?
C52 C47 C48 118.1(7) . . ?
C47 C48 H48 120.1 . . ?
C49 C48 C47 119.8(7) . . ?
C49 C48 H48 120.1 . . ?
C48 C49 H49 119.0 . . ?
C50 C49 C48 122.1(7) . . ?
C50 C49 H49 119.0 . . ?
C49 C50 C51 118.0(7) . . ?
C49 C50 C58 120.9(7) . . ?
C51 C50 C58 121.1(7) . . ?
C50 C51 H51 119.5 . . ?
C52 C51 C50 121.1(7) . . ?
C52 C51 H51 119.5 . . ?
C47 C52 H52 119.5 . . ?
C51 C52 C47 120.9(7) . . ?
C51 C52 H52 119.5 . . ?
O4 C53 Cr2 179.2(7) . . ?
O5 C54 Cr2 178.0(7) . . ?
O6 C55 Cr2 176.7(7) . . ?
C44 C56A H56A 109.5 . . ?
C44 C56A H56B 109.5 . . ?
C44 C56A H56C 109.5 . . ?
H56A C56A H56B 109.5 . . ?
H56A C56A H56C 109.5 . . ?
H56B C56A H56C 109.5 . . ?
C38 C57 H57A 109.5 . . ?
C38 C57 H57B 109.5 . . ?
C38 C57 H57C 109.5 . . ?
H57A C57 H57B 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C50 C58 H58A 109.5 . . ?
C50 C58 H58B 109.5 . . ?
C50 C58 H58C 109.5 . . ?
H58A C58 H58B 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
Rh1 C59 H59 113.4 . . ?
C60 C59 Rh1 74.4(4) . . ?
C60 C59 H59 113.4 . . ?
C60 C59 C66 127.1(7) . . ?
C66 C59 Rh1 107.6(4) . . ?
C66 C59 H59 113.4 . . ?
Rh1 C60 H60 113.9 . . ?
C59 C60 Rh1 70.0(4) . . ?
C59 C60 H60 113.9 . . ?
C59 C60 C61 125.1(7) . . ?
C61 C60 Rh1 111.8(4) . . ?
C61 C60 H60 113.9 . . ?
C60 C61 H61A 109.1 . . ?
C60 C61 H61B 109.1 . . ?
C60 C61 C62 112.4(5) . . ?
H61A C61 H61B 107.8 . . ?
C62 C61 H61A 109.1 . . ?
C62 C61 H61B 109.1 . . ?
C61 C62 H62A 108.7 . . ?
C61 C62 H62B 108.7 . . ?
H62A C62 H62B 107.6 . . ?
C63 C62 C61 114.4(6) . . ?
C63 C62 H62A 108.7 . . ?
C63 C62 H62B 108.7 . . ?
Rh1 C63 H63 113.7 . . ?
C62 C63 Rh1 108.2(4) . . ?
C62 C63 H63 113.7 . . ?
C64 C63 Rh1 74.0(4) . . ?
C64 C63 C62 126.0(7) . . ?
C64 C63 H63 113.7 . . ?
Rh1 C64 H64 114.4 . . ?
C63 C64 Rh1 70.0(3) . . ?
C63 C64 H64 114.4 . . ?
C63 C64 C65 124.6(6) . . ?
C65 C64 Rh1 110.6(4) . . ?
C65 C64 H64 114.4 . . ?
C64 C65 H65A 108.9 . . ?
C64 C65 H65B 108.9 . . ?
C64 C65 C66 113.2(6) . . ?
H65A C65 H65B 107.7 . . ?
C66 C65 H65A 108.9 . . ?
C66 C65 H65B 108.9 . . ?
C59 C66 C65 113.4(6) . . ?
C59 C66 H66A 108.9 . . ?
C59 C66 H66B 108.9 . . ?
C65 C66 H66A 108.9 . . ?
C65 C66 H66B 108.9 . . ?
H66A C66 H66B 107.7 . . ?
C44 C56B H56D 109.5 . . ?
C44 C56B H56E 109.5 . . ?
C44 C56B H56F 109.5 . . ?
H56D C56B H56E 109.5 . . ?
H56D C56B H56F 109.5 . . ?
H56E C56B H56F 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
F1 C73 1.327(8) . ?
F2 C73 1.336(8) . ?
F3 C73 1.350(8) . ?
F7 C81 1.354(12) . ?
F8 C81 1.341(12) . ?
F9 C81 1.299(10) . ?
F10 C82 1.369(11) . ?
F11 C82 1.321(10) . ?
F12 C82 1.338(11) . ?
F13 C89 1.333(8) . ?
F14 C89 1.342(10) . ?
F15 C89 1.328(10) . ?
F16 C90 1.349(9) . ?
F17 C90 1.347(10) . ?
F18 C90 1.334(9) . ?
F19A C98 1.326(9) . ?
F20A C98 1.339(8) . ?
F21A C98 1.347(9) . ?
F22 C97 1.319(12) . ?
F23 C97 1.314(9) . ?
F24 C97 1.350(9) . ?
C67 C68 1.405(9) . ?
C67 C72 1.401(9) . ?
C67 B1 1.644(10) . ?
C68 H68 0.9500 . ?
C68 C69 1.407(9) . ?
C69 C70 1.375(9) . ?
C69 C73 1.499(9) . ?
C70 H70 0.9500 . ?
C70 C71 1.407(9) . ?
C71 C72 1.401(9) . ?
C71 C74 1.445(8) . ?
C72 H72 0.9500 . ?
C74 F5 1.329(8) . ?
C74 F4 1.349(9) . ?
C74 F6 1.330(9) . ?
C74 F4A 1.346(14) . ?
C74 F6A 1.361(14) . ?
C74 F5A 1.330(15) . ?
C75 C76 1.401(11) . ?
C75 C80 1.398(10) . ?
C75 B1 1.653(10) . ?
C76 H76 0.9500 . ?
C76 C77 1.400(10) . ?
C77 C78 1.402(12) . ?
C77 C81 1.464(13) . ?
C78 H78 0.9500 . ?
C78 C79 1.380(12) . ?
C79 C80 1.397(10) . ?
C79 C82 1.479(12) . ?
C80 H80 0.9500 . ?
C83 C84 1.396(10) . ?
C83 C88 1.409(10) . ?
C83 B1 1.649(10) . ?
C84 H84 0.9500 . ?
C84 C85 1.397(10) . ?
C85 C86 1.377(10) . ?
C85 C89 1.511(11) . ?
C86 H86 0.9500 . ?
C86 C87 1.391(10) . ?
C87 C88 1.385(10) . ?
C87 C90 1.497(11) . ?
C88 H88 0.9500 . ?
C91 C92 1.411(9) . ?
C91 C96 1.402(9) . ?
C91 B1 1.659(10) . ?
C92 H92 0.9500 . ?
C92 C93 1.381(10) . ?
C93 C94 1.383(10) . ?
C93 C97 1.532(10) . ?
C94 H94 0.9500 . ?
C94 C95 1.409(10) . ?
C95 C96 1.404(10) . ?
C95 C98 1.435(8) . ?
C96 H96 0.9500 . ?
C98 F19B 1.346(14) . ?
C98 F21B 1.340(14) . ?
C98 F20B 1.336(14) . ?
Rh1 P1 2.3072(17) . ?
Rh1 P2 2.2826(17) . ?
Rh1 C59 2.207(7) . ?
Rh1 C60 2.261(6) . ?
Rh1 C63 2.225(6) . ?
Rh1 C64 2.276(6) . ?
Cr1 P1 2.4257(19) . ?
Cr1 C1 2.258(6) . ?
Cr1 C2 2.220(6) . ?
Cr1 C3 2.252(7) . ?
Cr1 C4 2.237(6) . ?
Cr1 C5 2.261(6) . ?
Cr1 C24 1.847(8) . ?
Cr1 C25 1.869(8) . ?
Cr1 C26 1.866(8) . ?
Cr2 P2 2.4270(19) . ?
Cr2 C30 2.238(6) . ?
Cr2 C31 2.234(8) . ?
Cr2 C32 2.251(7) . ?
Cr2 C33 2.222(7) . ?
Cr2 C34 2.253(7) . ?
Cr2 C53 1.875(8) . ?
Cr2 C54 1.842(8) . ?
Cr2 C55 1.870(8) . ?
P1 C1 1.749(6) . ?
P1 C5 1.773(7) . ?
P2 C30 1.752(7) . ?
P2 C34 1.776(6) . ?
O1 C25 1.153(9) . ?
O2 C26 1.169(9) . ?
O3 C24 1.169(9) . ?
O4 C53 1.148(9) . ?
O5 C54 1.156(9) . ?
O6 C55 1.148(9) . ?
C1 C2 1.407(9) . ?
C1 C6 1.506(9) . ?
C2 H2 1.0000 . ?
C2 C3 1.416(9) . ?
C3 C4 1.419(9) . ?
C3 C12 1.501(9) . ?
C4 H4 1.0000 . ?
C4 C5 1.401(9) . ?
C5 C18 1.498(9) . ?
C6 C7 1.386(9) . ?
C6 C11 1.389(10) . ?
C7 H7 0.9500 . ?
C7 C8 1.387(10) . ?
C8 H8 0.9500 . ?
C8 C9 1.391(11) . ?
C9 C10 1.393(10) . ?
C9 C28 1.498(10) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.412(9) . ?
C12 C17 1.370(10) . ?
C13 H13 0.9500 . ?
C13 C14 1.395(10) . ?
C14 H14 0.9500 . ?
C14 C15 1.367(11) . ?
C15 C16 1.393(11) . ?
C15 C27 1.534(10) . ?
C16 H16 0.9500 . ?
C16 C17 1.386(11) . ?
C17 H17 0.9500 . ?
C18 C19 1.397(9) . ?
C18 C23 1.394(9) . ?
C19 H19 0.9500 . ?
C19 C20 1.390(10) . ?
C20 H20 0.9500 . ?
C20 C21 1.393(10) . ?
C21 C22 1.398(10) . ?
C21 C29 1.505(9) . ?
C22 H22 0.9500 . ?
C22 C23 1.393(9) . ?
C23 H23 0.9500 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.429(9) . ?
C30 C35 1.497(9) . ?
C31 H31 1.0000 . ?
C31 C32 1.406(10) . ?
C32 C33 1.429(11) . ?
C32 C41 1.476(10) . ?
C33 H33 1.0000 . ?
C33 C34 1.392(10) . ?
C34 C47 1.505(10) . ?
C35 C36 1.399(9) . ?
C35 C40 1.411(9) . ?
C36 H36 0.9500 . ?
C36 C37 1.372(9) . ?
C37 H37 0.9500 . ?
C37 C38 1.411(11) . ?
C38 C39 1.391(11) . ?
C38 C57 1.518(10) . ?
C39 H39 0.9500 . ?
C39 C40 1.385(11) . ?
C40 H40 0.9500 . ?
C41 C42 1.378(11) . ?
C41 C46 1.399(11) . ?
C42 H42 0.9500 . ?
C42 C43 1.383(11) . ?
C43 H43 0.9500 . ?
C43 C44 1.375(12) . ?
C44 C45 1.387(14) . ?
C44 C56A 1.64(5) . ?
C44 C56B 1.52(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.387(12) . ?
C46 H46 0.9500 . ?
C47 C48 1.418(10) . ?
C47 C52 1.393(10) . ?
C48 H48 0.9500 . ?
C48 C49 1.385(11) . ?
C49 H49 0.9500 . ?
C49 C50 1.377(11) . ?
C50 C51 1.402(11) . ?
C50 C58 1.525(11) . ?
C51 H51 0.9500 . ?
C51 C52 1.381(11) . ?
C52 H52 0.9500 . ?
C56A H56A 0.9800 . ?
C56A H56B 0.9800 . ?
C56A H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59 1.0000 . ?
C59 C60 1.366(10) . ?
C59 C66 1.510(10) . ?
C60 H60 1.0000 . ?
C60 C61 1.525(9) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C61 C62 1.537(10) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C62 C63 1.504(9) . ?
C63 H63 1.0000 . ?
C63 C64 1.392(10) . ?
C64 H64 1.0000 . ?
C64 C65 1.507(10) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C65 C66 1.528(10) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C56B H56D 0.9800 . ?
C56B H56E 0.9800 . ?
C56B H56F 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
C67 C68 C69 C70 -1.9(10) . . . . ?
C67 C68 C69 C73 -177.4(6) . . . . ?
C68 C67 C72 C71 -0.6(10) . . . . ?
C68 C67 B1 C75 -158.8(6) . . . . ?
C68 C67 B1 C83 -38.1(8) . . . . ?
C68 C67 B1 C91 81.2(8) . . . . ?
C68 C69 C70 C71 1.9(10) . . . . ?
C68 C69 C73 F1 86.4(8) . . . . ?
C68 C69 C73 F2 -35.0(9) . . . . ?
C68 C69 C73 F3 -153.8(6) . . . . ?
C69 C70 C71 C72 -1.4(10) . . . . ?
C69 C70 C71 C74 179.0(6) . . . . ?
C70 C69 C73 F1 -89.3(8) . . . . ?
C70 C69 C73 F2 149.4(6) . . . . ?
C70 C69 C73 F3 30.6(9) . . . . ?
C70 C71 C72 C67 0.8(11) . . . . ?
C70 C71 C74 F5 -167.5(8) . . . . ?
C70 C71 C74 F4 -51.9(11) . . . . ?
C70 C71 C74 F6 68.0(11) . . . . ?
C70 C71 C74 F4A 20(3) . . . . ?
C70 C71 C74 F6A 135(3) . . . . ?
C70 C71 C74 F5A -104(3) . . . . ?
C72 C67 C68 C69 1.1(10) . . . . ?
C72 C67 B1 C75 21.4(9) . . . . ?
C72 C67 B1 C83 142.1(6) . . . . ?
C72 C67 B1 C91 -98.6(7) . . . . ?
C72 C71 C74 F5 12.9(11) . . . . ?
C72 C71 C74 F4 128.6(9) . . . . ?
C72 C71 C74 F6 -111.6(11) . . . . ?
C72 C71 C74 F4A -160(3) . . . . ?
C72 C71 C74 F6A -45(3) . . . . ?
C72 C71 C74 F5A 76(3) . . . . ?
C73 C69 C70 C71 177.6(6) . . . . ?
C74 C71 C72 C67 -179.6(7) . . . . ?
C75 C76 C77 C78 2.3(11) . . . . ?
C75 C76 C77 C81 -178.6(8) . . . . ?
C76 C75 C80 C79 2.0(10) . . . . ?
C76 C75 B1 C67 -74.4(8) . . . . ?
C76 C75 B1 C83 165.2(6) . . . . ?
C76 C75 B1 C91 47.3(8) . . . . ?
C76 C77 C78 C79 0.0(11) . . . . ?
C76 C77 C81 F7 -31.6(12) . . . . ?
C76 C77 C81 F8 81.8(11) . . . . ?
C76 C77 C81 F9 -155.4(10) . . . . ?
C77 C78 C79 C80 -1.1(11) . . . . ?
C77 C78 C79 C82 -179.0(7) . . . . ?
C78 C77 C81 F7 147.5(8) . . . . ?
C78 C77 C81 F8 -99.0(10) . . . . ?
C78 C77 C81 F9 23.8(14) . . . . ?
C78 C79 C80 C75 0.1(11) . . . . ?
C78 C79 C82 F10 116.1(9) . . . . ?
C78 C79 C82 F11 -4.0(11) . . . . ?
C78 C79 C82 F12 -126.7(9) . . . . ?
C80 C75 C76 C77 -3.2(10) . . . . ?
C80 C75 B1 C67 100.7(8) . . . . ?
C80 C75 B1 C83 -19.7(9) . . . . ?
C80 C75 B1 C91 -137.6(7) . . . . ?
C80 C79 C82 F10 -61.7(10) . . . . ?
C80 C79 C82 F11 178.2(7) . . . . ?
C80 C79 C82 F12 55.4(10) . . . . ?
C81 C77 C78 C79 -179.1(8) . . . . ?
C82 C79 C80 C75 177.9(7) . . . . ?
C83 C84 C85 C86 -2.2(11) . . . . ?
C83 C84 C85 C89 176.9(7) . . . . ?
C84 C83 C88 C87 -2.1(10) . . . . ?
C84 C83 B1 C67 -49.5(8) . . . . ?
C84 C83 B1 C75 70.1(8) . . . . ?
C84 C83 B1 C91 -171.2(6) . . . . ?
C84 C85 C86 C87 1.7(11) . . . . ?
C84 C85 C89 F13 50.2(10) . . . . ?
C84 C85 C89 F14 -66.9(9) . . . . ?
C84 C85 C89 F15 171.0(7) . . . . ?
C85 C86 C87 C88 -1.6(11) . . . . ?
C85 C86 C87 C90 179.4(7) . . . . ?
C86 C85 C89 F13 -130.7(7) . . . . ?
C86 C85 C89 F14 112.2(8) . . . . ?
C86 C85 C89 F15 -9.9(11) . . . . ?
C86 C87 C88 C83 1.9(11) . . . . ?
C86 C87 C90 F16 -176.0(7) . . . . ?
C86 C87 C90 F17 64.5(9) . . . . ?
C86 C87 C90 F18 -55.9(10) . . . . ?
C88 C83 C84 C85 2.3(10) . . . . ?
C88 C83 B1 C67 133.5(6) . . . . ?
C88 C83 B1 C75 -106.9(7) . . . . ?
C88 C83 B1 C91 11.8(8) . . . . ?
C88 C87 C90 F16 5.0(11) . . . . ?
C88 C87 C90 F17 -114.5(8) . . . . ?
C88 C87 C90 F18 125.1(8) . . . . ?
C89 C85 C86 C87 -177.3(7) . . . . ?
C90 C87 C88 C83 -179.2(7) . . . . ?
C91 C92 C93 C94 0.0(11) . . . . ?
C91 C92 C93 C97 177.8(7) . . . . ?
C92 C91 C96 C95 1.8(10) . . . . ?
C92 C91 B1 C67 148.0(6) . . . . ?
C92 C91 B1 C75 28.2(9) . . . . ?
C92 C91 B1 C83 -91.4(7) . . . . ?
C92 C93 C94 C95 -0.6(11) . . . . ?
C92 C93 C97 F22 -66.5(9) . . . . ?
C92 C93 C97 F23 53.8(11) . . . . ?
C92 C93 C97 F24 173.6(7) . . . . ?
C93 C94 C95 C96 1.8(10) . . . . ?
C93 C94 C95 C98 -177.9(7) . . . . ?
C94 C93 C97 F22 111.4(8) . . . . ?
C94 C93 C97 F23 -128.4(8) . . . . ?
C94 C93 C97 F24 -8.5(11) . . . . ?
C94 C95 C96 C91 -2.5(11) . . . . ?
C94 C95 C98 F19A -129.3(11) . . . . ?
C94 C95 C98 F20A 111.3(9) . . . . ?
C94 C95 C98 F21A -7.1(12) . . . . ?
C94 C95 C98 F19B -80(2) . . . . ?
C94 C95 C98 F21B 37(3) . . . . ?
C94 C95 C98 F20B 163(2) . . . . ?
C96 C91 C92 C93 -0.6(10) . . . . ?
C96 C91 B1 C67 -35.3(9) . . . . ?
C96 C91 B1 C75 -155.1(6) . . . . ?
C96 C91 B1 C83 85.2(7) . . . . ?
C96 C95 C98 F19A 51.0(13) . . . . ?
C96 C95 C98 F20A -68.4(10) . . . . ?
C96 C95 C98 F21A 173.2(9) . . . . ?
C96 C95 C98 F19B 100(2) . . . . ?
C96 C95 C98 F21B -142(3) . . . . ?
C96 C95 C98 F20B -17(2) . . . . ?
C97 C93 C94 C95 -178.4(7) . . . . ?
C98 C95 C96 C91 177.2(6) . . . . ?
B1 C67 C68 C69 -178.7(6) . . . . ?
B1 C67 C72 C71 179.2(6) . . . . ?
B1 C75 C76 C77 172.4(6) . . . . ?
B1 C75 C80 C79 -173.3(6) . . . . ?
B1 C83 C84 C85 -175.0(6) . . . . ?
B1 C83 C88 C87 175.1(6) . . . . ?
B1 C91 C92 C93 176.3(7) . . . . ?
B1 C91 C96 C95 -175.0(6) . . . . ?
Rh1 P1 C1 Cr1 -146.07(15) . . . . ?
Rh1 P1 C1 C2 162.2(4) . . . . ?
Rh1 P1 C1 C6 -16.2(6) . . . . ?
Rh1 P1 C5 Cr1 145.59(14) . . . . ?
Rh1 P1 C5 C4 -161.1(4) . . . . ?
Rh1 P1 C5 C18 18.2(6) . . . . ?
Rh1 P2 C30 Cr2 -139.05(15) . . . . ?
Rh1 P2 C30 C31 167.4(4) . . . . ?
Rh1 P2 C30 C35 -13.7(6) . . . . ?
Rh1 P2 C34 Cr2 139.36(16) . . . . ?
Rh1 P2 C34 C33 -168.5(5) . . . . ?
Rh1 P2 C34 C47 14.6(7) . . . . ?
Rh1 C59 C60 C61 103.2(6) . . . . ?
Rh1 C59 C66 C65 -43.5(7) . . . . ?
Rh1 C60 C61 C62 -11.9(8) . . . . ?
Rh1 C63 C64 C65 101.8(6) . . . . ?
Rh1 C64 C65 C66 -13.3(8) . . . . ?
Cr1 P1 C1 C2 -51.7(5) . . . . ?
Cr1 P1 C1 C6 129.8(6) . . . . ?
Cr1 P1 C5 C4 53.3(5) . . . . ?
Cr1 P1 C5 C18 -127.4(6) . . . . ?
Cr1 C1 C2 C3 -53.8(6) . . . . ?
Cr1 C1 C6 C7 -134.5(6) . . . . ?
Cr1 C1 C6 C11 46.0(9) . . . . ?
Cr1 C2 C3 C4 -52.1(6) . . . . ?
Cr1 C2 C3 C12 130.6(6) . . . . ?
Cr1 C3 C4 C5 -51.8(6) . . . . ?
Cr1 C3 C12 C13 -64.2(9) . . . . ?
Cr1 C3 C12 C17 120.1(7) . . . . ?
Cr1 C4 C5 P1 -54.1(4) . . . . ?
Cr1 C4 C5 C18 126.6(6) . . . . ?
Cr1 C5 C18 C19 39.2(10) . . . . ?
Cr1 C5 C18 C23 -140.8(6) . . . . ?
Cr2 P2 C30 C31 -53.5(5) . . . . ?
Cr2 P2 C30 C35 125.3(5) . . . . ?
Cr2 P2 C34 C33 52.2(5) . . . . ?
Cr2 P2 C34 C47 -124.8(6) . . . . ?
Cr2 C30 C31 C32 -51.3(7) . . . . ?
Cr2 C30 C35 C36 43.6(9) . . . . ?
Cr2 C30 C35 C40 -135.1(6) . . . . ?
Cr2 C31 C32 C33 -52.2(6) . . . . ?
Cr2 C31 C32 C41 126.3(7) . . . . ?
Cr2 C32 C33 C34 -52.7(7) . . . . ?
Cr2 C32 C41 C42 53.7(13) . . . . ?
Cr2 C32 C41 C46 -126.5(9) . . . . ?
Cr2 C33 C34 P2 -53.2(5) . . . . ?
Cr2 C33 C34 C47 123.8(6) . . . . ?
Cr2 C34 C47 C48 30.0(9) . . . . ?
Cr2 C34 C47 C52 -151.1(6) . . . . ?
P1 C1 C2 Cr1 53.0(4) . . . . ?
P1 C1 C2 C3 -0.8(9) . . . . ?
P1 C1 C6 C7 131.8(6) . . . . ?
P1 C1 C6 C11 -47.7(8) . . . . ?
P1 C5 C18 C19 131.4(6) . . . . ?
P1 C5 C18 C23 -48.7(8) . . . . ?
P2 C30 C31 Cr2 54.7(4) . . . . ?
P2 C30 C31 C32 3.4(10) . . . . ?
P2 C30 C35 C36 -47.6(8) . . . . ?
P2 C30 C35 C40 133.6(6) . . . . ?
P2 C34 C47 C48 121.1(6) . . . . ?
P2 C34 C47 C52 -60.1(8) . . . . ?
C1 P1 C5 Cr1 -50.4(3) . . . . ?
C1 P1 C5 C4 2.9(6) . . . . ?
C1 P1 C5 C18 -177.8(5) . . . . ?
C1 C2 C3 Cr1 53.9(6) . . . . ?
C1 C2 C3 C4 1.8(10) . . . . ?
C1 C2 C3 C12 -175.5(6) . . . . ?
C1 C6 C7 C8 -176.9(7) . . . . ?
C1 C6 C11 C10 178.7(6) . . . . ?
C2 C1 C6 C7 -46.8(9) . . . . ?
C2 C1 C6 C11 133.8(7) . . . . ?
C2 C3 C4 Cr1 51.8(6) . . . . ?
C2 C3 C4 C5 0.0(10) . . . . ?
C2 C3 C12 C13 -153.7(6) . . . . ?
C2 C3 C12 C17 30.6(9) . . . . ?
C3 C4 C5 Cr1 51.6(6) . . . . ?
C3 C4 C5 P1 -2.5(10) . . . . ?
C3 C4 C5 C18 178.2(6) . . . . ?
C3 C12 C13 C14 -175.0(6) . . . . ?
C3 C12 C17 C16 176.1(7) . . . . ?
C4 C3 C12 C13 29.0(10) . . . . ?
C4 C3 C12 C17 -146.7(7) . . . . ?
C4 C5 C18 C19 -49.3(9) . . . . ?
C4 C5 C18 C23 130.7(7) . . . . ?
C5 P1 C1 Cr1 50.3(3) . . . . ?
C5 P1 C1 C2 -1.4(6) . . . . ?
C5 P1 C1 C6 -179.9(5) . . . . ?
C5 C18 C19 C20 179.8(7) . . . . ?
C5 C18 C23 C22 -179.6(7) . . . . ?
C6 C1 C2 Cr1 -128.5(6) . . . . ?
C6 C1 C2 C3 177.7(6) . . . . ?
C6 C7 C8 C9 -2.1(12) . . . . ?
C7 C6 C11 C10 -0.8(10) . . . . ?
C7 C8 C9 C10 -0.2(12) . . . . ?
C7 C8 C9 C28 -179.1(9) . . . . ?
C8 C9 C10 C11 2.0(12) . . . . ?
C9 C10 C11 C6 -1.5(11) . . . . ?
C11 C6 C7 C8 2.6(11) . . . . ?
C12 C3 C4 Cr1 -131.0(6) . . . . ?
C12 C3 C4 C5 177.2(6) . . . . ?
C12 C13 C14 C15 -1.0(11) . . . . ?
C13 C12 C17 C16 0.2(12) . . . . ?
C13 C14 C15 C16 0.3(12) . . . . ?
C13 C14 C15 C27 177.4(7) . . . . ?
C14 C15 C16 C17 0.7(12) . . . . ?
C15 C16 C17 C12 -0.9(13) . . . . ?
C17 C12 C13 C14 0.7(10) . . . . ?
C18 C19 C20 C21 0.8(13) . . . . ?
C19 C18 C23 C22 0.4(11) . . . . ?
C19 C20 C21 C22 -1.5(12) . . . . ?
C19 C20 C21 C29 179.5(8) . . . . ?
C20 C21 C22 C23 1.8(11) . . . . ?
C21 C22 C23 C18 -1.3(11) . . . . ?
C23 C18 C19 C20 -0.2(11) . . . . ?
C27 C15 C16 C17 -176.5(8) . . . . ?
C28 C9 C10 C11 -179.1(9) . . . . ?
C29 C21 C22 C23 -179.2(7) . . . . ?
C30 P2 C34 Cr2 -49.9(3) . . . . ?
C30 P2 C34 C33 2.2(7) . . . . ?
C30 P2 C34 C47 -174.7(5) . . . . ?
C30 C31 C32 Cr2 50.9(6) . . . . ?
C30 C31 C32 C33 -1.2(11) . . . . ?
C30 C31 C32 C41 177.2(7) . . . . ?
C30 C35 C36 C37 -179.2(6) . . . . ?
C30 C35 C40 C39 -179.0(6) . . . . ?
C31 C30 C35 C36 131.3(7) . . . . ?
C31 C30 C35 C40 -47.5(8) . . . . ?
C31 C32 C33 Cr2 52.5(6) . . . . ?
C31 C32 C33 C34 -0.2(12) . . . . ?
C31 C32 C41 C42 -35.3(13) . . . . ?
C31 C32 C41 C46 144.5(9) . . . . ?
C32 C33 C34 Cr2 52.4(7) . . . . ?
C32 C33 C34 P2 -0.7(11) . . . . ?
C32 C33 C34 C47 176.3(7) . . . . ?
C32 C41 C42 C43 178.4(10) . . . . ?
C32 C41 C46 C45 -179.5(10) . . . . ?
C33 C32 C41 C42 143.1(9) . . . . ?
C33 C32 C41 C46 -37.1(13) . . . . ?
C33 C34 C47 C48 -56.0(9) . . . . ?
C33 C34 C47 C52 122.8(7) . . . . ?
C34 P2 C30 Cr2 50.1(3) . . . . ?
C34 P2 C30 C31 -3.4(6) . . . . ?
C34 P2 C30 C35 175.4(5) . . . . ?
C34 C47 C48 C49 179.2(6) . . . . ?
C34 C47 C52 C51 -178.2(7) . . . . ?
C35 C30 C31 Cr2 -124.2(5) . . . . ?
C35 C30 C31 C32 -175.5(6) . . . . ?
C35 C36 C37 C38 -1.9(10) . . . . ?
C36 C35 C40 C39 2.2(10) . . . . ?
C36 C37 C38 C39 2.2(11) . . . . ?
C36 C37 C38 C57 -177.1(7) . . . . ?
C37 C38 C39 C40 -0.4(11) . . . . ?
C38 C39 C40 C35 -1.8(11) . . . . ?
C40 C35 C36 C37 -0.4(9) . . . . ?
C41 C32 C33 Cr2 -125.8(7) . . . . ?
C41 C32 C33 C34 -178.5(7) . . . . ?
C41 C42 C43 C44 1.1(19) . . . . ?
C42 C41 C46 C45 0.3(16) . . . . ?
C42 C43 C44 C45 0(2) . . . . ?
C42 C43 C44 C56A -162(4) . . . . ?
C42 C43 C44 C56B 166(3) . . . . ?
C43 C44 C45 C46 -1(2) . . . . ?
C44 C45 C46 C41 1(2) . . . . ?
C46 C41 C42 C43 -1.4(16) . . . . ?
C47 C48 C49 C50 -0.2(11) . . . . ?
C48 C47 C52 C51 0.7(11) . . . . ?
C48 C49 C50 C51 -0.8(11) . . . . ?
C48 C49 C50 C58 178.6(7) . . . . ?
C49 C50 C51 C52 1.7(11) . . . . ?
C50 C51 C52 C47 -1.7(11) . . . . ?
C52 C47 C48 C49 0.3(10) . . . . ?
C56A C44 C45 C46 161(4) . . . . ?
C57 C38 C39 C40 178.9(7) . . . . ?
C58 C50 C51 C52 -177.6(7) . . . . ?
C59 C60 C61 C62 -92.2(8) . . . . ?
C60 C59 C66 C65 39.9(10) . . . . ?
C60 C61 C62 C63 35.9(9) . . . . ?
C61 C62 C63 Rh1 -41.1(7) . . . . ?
C61 C62 C63 C64 41.9(9) . . . . ?
C62 C63 C64 Rh1 -101.1(6) . . . . ?
C62 C63 C64 C65 0.7(10) . . . . ?
C63 C64 C65 C66 -92.7(8) . . . . ?
C64 C65 C66 C59 38.6(9) . . . . ?
C66 C59 C60 Rh1 -100.4(7) . . . . ?
C66 C59 C60 C61 2.7(11) . . . . ?
C56B C44 C45 C46 -168(3) . . . . ?
