#------------------------------------------------------------------------------
#$Date: 2026-05-08 00:59:18 +0200 (Fri, 08 May 2026) $
#$Revision: 305895 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/7/72/10/7721000.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_7721000
loop_
_publ_author_name
'Vinogradov, Mikhail M.'
'Nelubina, Yulia V.'
'Godovikov, Ivan A.'
'Godovikova, Maria I.'
'Kharitonov, Vladimir B.'
'Podyacheva, Evgeniya S.'
'Rodionov, Alexey'
_publ_section_title
;
 Rhodacarborane complexes with a triphenylphosphonium substituent as
 efficient catalysts for on-water transfer hydrogenation of carbonyl
 compounds
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D6DT00999A
_journal_year                    2026
_chemical_formula_moiety         'C42 H49 B9 P Rh'
_chemical_formula_sum            'C42 H49 B9 P Rh'
_chemical_formula_weight         784.98
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2026-01-27
_audit_creation_method
;
Olex2 1.5
(compiled 2025.07.13 svn.rb7424aed for OlexSys, GUI svn.r7314)
;
_audit_update_record
;
2026-01-27 deposited with the CCDC.	2026-05-04 downloaded from the CCDC.
;
_cell_angle_alpha                104.9050(10)
_cell_angle_beta                 109.6550(10)
_cell_angle_gamma                95.2440(10)
_cell_formula_units_Z            2
_cell_length_a                   12.2842(2)
_cell_length_b                   12.8919(2)
_cell_length_c                   13.3696(2)
_cell_measurement_reflns_used    9759
_cell_measurement_temperature    100
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.46
_cell_volume                     1889.67(5)
_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    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Quest D8'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0474
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23774
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.957
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.526
_exptl_absorpt_correction_T_max  0.4330
_exptl_absorpt_correction_T_min  0.3910
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.1016 before and 0.0471 after correction.
The Ratio of minimum to maximum transmission is 0.9030.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_description       prism
_exptl_crystal_F_000             812
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.412
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     510
_refine_ls_number_reflns         9108
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0313
_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)+(0.0189P)²+1.5150P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0648
_refine_ls_wR_factor_ref         0.0686
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7971
_reflns_number_total             9108
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d6dt00999a2.cif
_cod_data_source_block           5
_cod_original_cell_volume        1889.66(5)
_cod_database_code               7721000
_shelxl_version_number           2014/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.949
_shelx_estimated_absorpt_t_min   0.902
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Ternary CH refined with riding coordinates:
 C29(H29), C30(H30), C33(H33), C34(H34)
2.b Secondary CH2 refined with riding coordinates:
 C13(H13A,H13B), C20(H20A,H20B), C27(H27A,H27B), C28(H28A,H28B), C31(H31A,
 H31B), C32(H32A,H32B)
2.c Aromatic/amide H refined with riding coordinates:
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C22(H22), C23(H23),
 C24(H24), C25(H25), C26(H26), C37(H37), C38(H38), C39(H39), C40(H40), C41(H41),
  C43(H43), C44(H44), C45(H45), C46(H46), C47(H47), C49(H49), C50(H50),
 C51(H51), C52(H52), C53(H53)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.10555(16) 0.73924(16) 0.12593(16) 0.0128(4) Uani 1 1 d . . . . .
Rh2 Rh 0.05939(2) 0.86286(2) 0.26281(2) 0.01059(4) Uani 1 1 d . . . . .
B3 B 0.02218(18) 0.69277(17) 0.15990(18) 0.0120(4) Uani 1 1 d . . . . .
H3 H 0.0637(18) 0.6662(17) 0.1006(17) 0.012(5) Uiso 1 1 d . . . . .
B4 B -0.12020(18) 0.60370(18) 0.10505(19) 0.0133(4) Uani 1 1 d . . . . .
H4 H -0.1486(18) 0.5425(17) 0.0217(17) 0.012(5) Uiso 1 1 d . . . . .
B5 B -0.20987(19) 0.67638(19) 0.16044(19) 0.0150(4) Uani 1 1 d . . . . .
H5 H -0.3021(18) 0.6658(17) 0.1106(17) 0.011(5) Uiso 1 1 d . . . . .
B6 B -0.11956(19) 0.80732(18) 0.24954(19) 0.0137(4) Uani 1 1 d . . . . .
H6 H -0.1708(18) 0.8768(17) 0.2523(18) 0.014(5) Uiso 1 1 d . . . . .
B7 B 0.08451(18) 0.71107(17) 0.31058(18) 0.0115(4) Uani 1 1 d . . . . .
C8 C -0.00936(16) 0.58857(15) 0.21545(16) 0.0117(4) Uani 1 1 d . . . . .
B9 B -0.15103(18) 0.57590(18) 0.21541(19) 0.0134(4) Uani 1 1 d . . . . .
H9 H -0.1981(19) 0.4978(18) 0.2044(18) 0.016(6) Uiso 1 1 d . . . . .
B10 B -0.15085(19) 0.70183(18) 0.30698(19) 0.0137(4) Uani 1 1 d . . . . .
H10 H -0.2082(18) 0.7093(17) 0.3536(18) 0.013(5) Uiso 1 1 d . . . . .
B11 B -0.00722(19) 0.78445(18) 0.36917(19) 0.0131(4) Uani 1 1 d . . . . .
H11 H 0.0154(17) 0.8320(16) 0.4579(17) 0.009(5) Uiso 1 1 d . . . . .
B12 B -0.02666(19) 0.63949(18) 0.34075(19) 0.0130(4) Uani 1 1 d . . . . .
H12 H -0.0024(18) 0.5967(17) 0.4015(18) 0.015(6) Uiso 1 1 d . . . . .
C13 C -0.14826(16) 0.77446(17) 0.01913(16) 0.0150(4) Uani 1 1 d . . . . .
H13A H -0.1170 0.8537 0.0392 0.018 Uiso 1 1 calc R U . . .
H13B H -0.1144 0.7351 -0.0336 0.018 Uiso 1 1 calc R U . . .
C14 C -0.28060(17) 0.75348(17) -0.03983(16) 0.0160(4) Uani 1 1 d . . . . .
C15 C -0.34636(19) 0.82805(18) -0.00632(18) 0.0201(4) Uani 1 1 d . . . . .
H15 H -0.3072 0.8961 0.0495 0.024 Uiso 1 1 calc R U . . .
C16 C -0.4690(2) 0.8037(2) -0.0539(2) 0.0275(5) Uani 1 1 d . . . . .
H16 H -0.5131 0.8550 -0.0305 0.033 Uiso 1 1 calc R U . . .
C17 C -0.52669(19) 0.7049(2) -0.1353(2) 0.0303(6) Uani 1 1 d . . . . .
H17 H -0.6104 0.6879 -0.1668 0.036 Uiso 1 1 calc R U . . .
C18 C -0.46278(19) 0.6310(2) -0.1709(2) 0.0293(5) Uani 1 1 d . . . . .
H18 H -0.5021 0.5635 -0.2276 0.035 Uiso 1 1 calc R U . . .
C19 C -0.34023(19) 0.65636(18) -0.12302(18) 0.0231(5) Uani 1 1 d . . . . .
H19 H -0.2965 0.6056 -0.1482 0.028 Uiso 1 1 calc R U . . .
C20 C 0.03561(16) 0.48049(15) 0.18587(17) 0.0132(4) Uani 1 1 d . . . . .
H20A H 0.0338 0.4646 0.1088 0.016 Uiso 1 1 calc R U . . .
H20B H 0.1189 0.4917 0.2363 0.016 Uiso 1 1 calc R U . . .
C21 C -0.03321(16) 0.38134(15) 0.19394(17) 0.0142(4) Uani 1 1 d . . . . .
C22 C -0.12530(17) 0.31148(16) 0.10056(17) 0.0165(4) Uani 1 1 d . . . . .
H22 H -0.1428 0.3245 0.0305 0.020 Uiso 1 1 calc R U . . .
C23 C -0.19218(18) 0.22282(17) 0.1082(2) 0.0216(5) Uani 1 1 d . . . . .
H23 H -0.2553 0.1762 0.0439 0.026 Uiso 1 1 calc R U . . .
C24 C -0.16644(19) 0.20266(17) 0.2100(2) 0.0232(5) Uani 1 1 d . . . . .
H24 H -0.2127 0.1430 0.2159 0.028 Uiso 1 1 calc R U . . .
C25 C -0.0730(2) 0.26993(17) 0.30298(19) 0.0225(5) Uani 1 1 d . . . . .
H25 H -0.0543 0.2556 0.3725 0.027 Uiso 1 1 calc R U . . .
C26 C -0.00677(18) 0.35833(16) 0.29465(18) 0.0185(4) Uani 1 1 d . . . . .
H26 H 0.0576 0.4037 0.3587 0.022 Uiso 1 1 calc R U . . .
C27 C 0.08213(19) 1.07087(17) 0.18490(18) 0.0203(4) Uani 1 1 d . . . . .
H27A H 0.1391 1.1355 0.2427 0.024 Uiso 1 1 calc R U . . .
H27B H 0.0282 1.0965 0.1266 0.024 Uiso 1 1 calc R U . . .
C28 C 0.14850(19) 0.99216(18) 0.13305(18) 0.0202(4) Uani 1 1 d . . . . .
H28A H 0.0965 0.9499 0.0555 0.024 Uiso 1 1 calc R U . . .
H28B H 0.2181 1.0349 0.1303 0.024 Uiso 1 1 calc R U . . .
C29 C 0.18857(17) 0.91367(16) 0.19850(17) 0.0156(4) Uani 1 1 d . . . . .
H29 H 0.2177 0.8519 0.1594 0.019 Uiso 1 1 calc R U . . .
C30 C 0.24035(16) 0.94416(16) 0.31577(17) 0.0148(4) Uani 1 1 d . . . . .
H30 H 0.2984 0.8985 0.3431 0.018 Uiso 1 1 calc R U . . .
C31 C 0.27052(17) 1.06114(16) 0.39454(17) 0.0179(4) Uani 1 1 d . . . . .
H31A H 0.2906 1.1123 0.3566 0.021 Uiso 1 1 calc R U . . .
H31B H 0.3411 1.0684 0.4614 0.021 Uiso 1 1 calc R U . . .
C32 C 0.16972(18) 1.09445(16) 0.43203(17) 0.0181(4) Uani 1 1 d . . . . .
H32A H 0.1840 1.0850 0.5063 0.022 Uiso 1 1 calc R U . . .
H32B H 0.1698 1.1729 0.4396 0.022 Uiso 1 1 calc R U . . .
C33 C 0.05045(18) 1.02800(15) 0.35132(17) 0.0164(4) Uani 1 1 d . . . . .
H33 H -0.0130 1.0313 0.3825 0.020 Uiso 1 1 calc R U . . .
C34 C 0.01150(18) 1.01473(15) 0.23721(17) 0.0162(4) Uani 1 1 d . . . . .
H34 H -0.0754 1.0095 0.2018 0.019 Uiso 1 1 calc R U . . .
P35 P 0.24743(4) 0.70074(4) 0.39129(4) 0.01097(10) Uani 1 1 d . . . . .
C36 C 0.33975(16) 0.70385(15) 0.31016(16) 0.0125(4) Uani 1 1 d . . . . .
C37 C 0.29849(17) 0.63916(16) 0.19866(17) 0.0154(4) Uani 1 1 d . . . . .
H37 H 0.2207 0.5969 0.1646 0.019 Uiso 1 1 calc R U . . .
C38 C 0.37003(18) 0.63597(18) 0.13701(18) 0.0201(4) Uani 1 1 d . . . . .
H38 H 0.3409 0.5923 0.0610 0.024 Uiso 1 1 calc R U . . .
C39 C 0.48391(18) 0.69657(18) 0.18658(19) 0.0222(5) Uani 1 1 d . . . . .
H39 H 0.5332 0.6942 0.1447 0.027 Uiso 1 1 calc R U . . .
C40 C 0.52588(17) 0.76055(17) 0.29706(19) 0.0208(5) Uani 1 1 d . . . . .
H40 H 0.6042 0.8018 0.3309 0.025 Uiso 1 1 calc R U . . .
C41 C 0.45459(17) 0.76498(16) 0.35893(18) 0.0169(4) Uani 1 1 d . . . . .
H41 H 0.4840 0.8097 0.4346 0.020 Uiso 1 1 calc R U . . .
C42 C 0.27010(16) 0.58042(15) 0.43688(16) 0.0137(4) Uani 1 1 d . . . . .
C43 C 0.32542(17) 0.50209(16) 0.39110(18) 0.0169(4) Uani 1 1 d . . . . .
H43 H 0.3496 0.5094 0.3324 0.020 Uiso 1 1 calc R U . . .
C44 C 0.34535(18) 0.41340(17) 0.43113(19) 0.0207(4) Uani 1 1 d . . . . .
H44 H 0.3814 0.3593 0.3985 0.025 Uiso 1 1 calc R U . . .
C45 C 0.31294(18) 0.40379(18) 0.51820(19) 0.0221(5) Uani 1 1 d . . . . .
H45 H 0.3274 0.3435 0.5460 0.026 Uiso 1 1 calc R U . . .
C46 C 0.25895(18) 0.48261(17) 0.56535(18) 0.0198(4) Uani 1 1 d . . . . .
H46 H 0.2371 0.4763 0.6256 0.024 Uiso 1 1 calc R U . . .
C47 C 0.23712(17) 0.56994(17) 0.52457(17) 0.0168(4) Uani 1 1 d . . . . .
H47 H 0.1995 0.6230 0.5563 0.020 Uiso 1 1 calc R U . . .
C48 C 0.31941(16) 0.80752(16) 0.52451(16) 0.0136(4) Uani 1 1 d . . . . .
C49 C 0.42550(18) 0.79482(17) 0.59869(17) 0.0185(4) Uani 1 1 d . . . . .
H49 H 0.4572 0.7318 0.5780 0.022 Uiso 1 1 calc R U . . .
C50 C 0.48472(18) 0.87263(18) 0.70139(18) 0.0219(5) Uani 1 1 d . . . . .
H50 H 0.5579 0.8643 0.7500 0.026 Uiso 1 1 calc R U . . .
C51 C 0.43681(19) 0.96286(18) 0.73308(18) 0.0217(5) Uani 1 1 d . . . . .
H51 H 0.4769 1.0164 0.8038 0.026 Uiso 1 1 calc R U . . .
C52 C 0.33035(18) 0.97505(17) 0.66163(18) 0.0196(4) Uani 1 1 d . . . . .
H52 H 0.2970 1.0363 0.6842 0.024 Uiso 1 1 calc R U . . .
C53 C 0.27229(17) 0.89835(16) 0.55745(17) 0.0153(4) Uani 1 1 d . . . . .
H53 H 0.2001 0.9079 0.5084 0.018 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
B3 C1 Rh2 63.44(9) . . ?
B3 C1 B5 113.52(15) . . ?
B3 C1 B6 107.36(15) . . ?
B4 C1 Rh2 122.04(12) . . ?
B4 C1 B3 64.69(12) . . ?
B4 C1 B5 61.75(12) . . ?
B4 C1 B6 111.93(16) . . ?
B5 C1 Rh2 120.93(12) . . ?
B5 C1 B6 63.03(13) . . ?
B6 C1 Rh2 63.06(9) . . ?
C13 C1 Rh2 111.05(12) . . ?
C13 C1 B3 119.21(16) . . ?
C13 C1 B4 115.57(16) . . ?
C13 C1 B5 117.67(16) . . ?
C13 C1 B6 123.59(16) . . ?
B3 Rh2 C1 43.94(7) . . ?
B3 Rh2 B6 78.47(8) . . ?
B3 Rh2 B7 49.36(8) . . ?
B3 Rh2 B11 81.67(8) . . ?
B3 Rh2 C33 166.17(8) . . ?
B6 Rh2 C1 45.08(7) . . ?
B6 Rh2 B7 81.05(8) . . ?
B6 Rh2 B11 48.94(8) . . ?
B6 Rh2 C33 88.66(8) . . ?
B7 Rh2 C1 79.16(7) . . ?
B7 Rh2 B11 46.94(8) . . ?
B11 Rh2 C1 79.76(7) . . ?
C29 Rh2 C1 113.19(7) . . ?
C29 Rh2 B3 93.45(8) . . ?
C29 Rh2 B6 153.60(8) . . ?
C29 Rh2 B7 112.77(8) . . ?
C29 Rh2 B11 155.39(8) . . ?
C29 Rh2 C33 95.95(8) . . ?
C29 Rh2 C34 79.02(8) . . ?
C30 Rh2 C1 149.17(7) . . ?
C30 Rh2 B3 113.66(8) . . ?
C30 Rh2 B6 165.73(8) . . ?
C30 Rh2 B7 100.92(8) . . ?
C30 Rh2 B11 123.00(8) . . ?
C30 Rh2 C29 37.95(7) . . ?
C30 Rh2 C33 79.79(7) . . ?
C30 Rh2 C34 86.43(8) . . ?
C33 Rh2 C1 122.50(7) . . ?
C33 Rh2 B7 133.96(8) . . ?
C33 Rh2 B11 93.76(8) . . ?
C34 Rh2 C1 99.56(7) . . ?
C34 Rh2 B3 136.16(8) . . ?
C34 Rh2 B6 89.46(8) . . ?
C34 Rh2 B7 167.78(8) . . ?
C34 Rh2 B11 120.84(8) . . ?
C34 Rh2 C33 37.33(7) . . ?
C1 B3 Rh2 72.62(10) . . ?
C1 B3 H3 122.4(11) . . ?
C1 B3 B4 57.35(12) . . ?
C1 B3 B7 110.42(15) . . ?
C1 B3 C8 102.46(14) . . ?
Rh2 B3 H3 121.8(11) . . ?
B4 B3 Rh2 123.78(13) . . ?
B4 B3 H3 106.6(11) . . ?
B4 B3 B7 106.74(15) . . ?
B7 B3 Rh2 66.61(10) . . ?
B7 B3 H3 126.7(11) . . ?
C8 B3 Rh2 118.65(13) . . ?
C8 B3 H3 112.0(11) . . ?
C8 B3 B4 57.15(12) . . ?
C8 B3 B7 58.30(11) . . ?
C1 B4 B3 57.96(12) . . ?
C1 B4 H4 123.5(11) . . ?
C1 B4 B5 59.88(12) . . ?
C1 B4 C8 105.46(15) . . ?
C1 B4 B9 107.95(15) . . ?
B3 B4 H4 118.5(11) . . ?
B5 B4 B3 106.71(15) . . ?
B5 B4 H4 126.3(11) . . ?
B5 B4 B9 59.98(13) . . ?
C8 B4 B3 60.32(12) . . ?
C8 B4 H4 120.1(11) . . ?
C8 B4 B5 106.37(16) . . ?
C8 B4 B9 60.09(12) . . ?
B9 B4 B3 109.16(15) . . ?
B9 B4 H4 122.5(11) . . ?
C1 B5 B4 58.37(12) . . ?
C1 B5 H5 120.0(11) . . ?
C1 B5 B6 59.21(12) . . ?
C1 B5 B9 107.11(15) . . ?
C1 B5 B10 107.36(15) . . ?
B4 B5 H5 119.8(11) . . ?
B4 B5 B6 106.23(15) . . ?
B4 B5 B9 60.43(13) . . ?
B4 B5 B10 107.79(16) . . ?
B6 B5 H5 123.1(11) . . ?
B9 B5 H5 122.5(11) . . ?
B9 B5 B6 108.12(16) . . ?
B9 B5 B10 60.17(13) . . ?
B10 B5 H5 124.9(11) . . ?
B10 B5 B6 60.41(13) . . ?
C1 B6 Rh2 71.85(10) . . ?
C1 B6 B5 57.76(12) . . ?
C1 B6 H6 119.8(11) . . ?
C1 B6 B10 105.15(15) . . ?
C1 B6 B11 110.60(15) . . ?
Rh2 B6 H6 111.5(11) . . ?
B5 B6 Rh2 124.17(13) . . ?
B5 B6 H6 113.3(11) . . ?
B5 B6 B11 107.63(15) . . ?
B10 B6 Rh2 120.82(13) . . ?
B10 B6 B5 59.09(13) . . ?
B10 B6 H6 118.9(11) . . ?
B10 B6 B11 58.46(12) . . ?
B11 B6 Rh2 67.60(10) . . ?
B11 B6 H6 126.5(11) . . ?
B3 B7 Rh2 64.03(10) . . ?
B3 B7 P35 123.80(13) . . ?
C8 B7 Rh2 116.73(12) . . ?
C8 B7 B3 58.74(11) . . ?
C8 B7 B11 104.86(14) . . ?
C8 B7 B12 58.21(11) . . ?
C8 B7 P35 116.24(13) . . ?
B11 B7 Rh2 67.39(10) . . ?
B11 B7 B3 106.28(15) . . ?
B11 B7 B12 59.87(12) . . ?
B11 B7 P35 126.33(14) . . ?
B12 B7 Rh2 120.60(13) . . ?
B12 B7 B3 106.17(14) . . ?
B12 B7 P35 115.75(14) . . ?
P35 B7 Rh2 116.52(10) . . ?
B4 C8 B3 62.54(12) . . ?
B4 C8 B7 115.10(15) . . ?
B4 C8 B9 61.25(12) . . ?
B4 C8 B12 112.81(15) . . ?
B7 C8 B3 62.97(12) . . ?
B9 C8 B3 111.87(15) . . ?
B9 C8 B7 113.18(14) . . ?
B12 C8 B3 112.50(14) . . ?
B12 C8 B7 61.89(12) . . ?
B12 C8 B9 61.80(12) . . ?
C20 C8 B3 118.86(15) . . ?
C20 C8 B4 113.10(15) . . ?
C20 C8 B7 122.52(15) . . ?
C20 C8 B9 116.39(15) . . ?
C20 C8 B12 122.19(16) . . ?
B4 B9 H9 120.5(12) . . ?
B4 B9 B10 107.55(16) . . ?
B4 B9 B12 108.29(15) . . ?
B5 B9 B4 59.59(13) . . ?
B5 B9 H9 126.2(12) . . ?
B5 B9 B10 60.70(13) . . ?
B5 B9 B12 109.19(16) . . ?
C8 B9 B4 58.66(12) . . ?
C8 B9 B5 104.97(15) . . ?
C8 B9 H9 119.6(12) . . ?
C8 B9 B10 104.34(14) . . ?
C8 B9 B12 58.93(11) . . ?
B10 B9 H9 126.4(12) . . ?
B10 B9 B12 59.91(12) . . ?
B12 B9 H9 118.7(12) . . ?
B5 B10 B6 60.50(13) . . ?
B5 B10 H10 120.3(11) . . ?
B5 B10 B11 111.66(16) . . ?
B6 B10 H10 120.8(11) . . ?
B9 B10 B5 59.13(13) . . ?
B9 B10 B6 107.37(16) . . ?
B9 B10 H10 122.4(11) . . ?
B9 B10 B11 110.16(15) . . ?
B9 B10 B12 60.42(12) . . ?
B11 B10 B6 61.97(13) . . ?
B11 B10 H10 119.1(11) . . ?
B12 B10 B5 108.34(15) . . ?
B12 B10 B6 108.27(15) . . ?
B12 B10 H10 122.7(11) . . ?
B12 B10 B11 60.50(12) . . ?
Rh2 B11 H11 118.4(11) . . ?
B6 B11 Rh2 63.46(10) . . ?
B6 B11 H11 124.9(11) . . ?
B7 B11 Rh2 65.67(10) . . ?
B7 B11 B6 104.43(15) . . ?
B7 B11 H11 127.2(10) . . ?
B7 B11 B12 60.26(12) . . ?
B10 B11 Rh2 118.07(14) . . ?
B10 B11 B6 59.57(12) . . ?
B10 B11 B7 107.23(15) . . ?
B10 B11 H11 112.9(10) . . ?
B10 B11 B12 59.53(12) . . ?
B12 B11 Rh2 119.42(13) . . ?
B12 B11 B6 105.69(15) . . ?
B12 B11 H11 115.1(11) . . ?
B7 B12 H12 120.3(11) . . ?
C8 B12 B7 59.89(12) . . ?
C8 B12 B9 59.27(12) . . ?
C8 B12 B10 104.42(15) . . ?
C8 B12 B11 106.16(16) . . ?
C8 B12 H12 119.0(11) . . ?
B9 B12 B7 109.46(16) . . ?
B9 B12 B11 109.13(16) . . ?
B9 B12 H12 118.2(12) . . ?
B10 B12 B7 107.27(16) . . ?
B10 B12 B9 59.67(12) . . ?
B10 B12 B11 59.98(12) . . ?
B10 B12 H12 126.7(11) . . ?
B11 B12 B7 59.87(12) . . ?
B11 B12 H12 126.2(12) . . ?
C1 C13 H13A 108.6 . . ?
C1 C13 H13B 108.6 . . ?
H13A C13 H13B 107.5 . . ?
C14 C13 C1 114.85(16) . . ?
C14 C13 H13A 108.6 . . ?
C14 C13 H13B 108.6 . . ?
C15 C14 C13 120.85(18) . . ?
C19 C14 C13 120.76(18) . . ?
C19 C14 C15 118.24(19) . . ?
C14 C15 H15 119.7 . . ?
C16 C15 C14 120.6(2) . . ?
C16 C15 H15 119.7 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 C15 120.1(2) . . ?
C17 C16 H16 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 C16 120.1(2) . . ?
C18 C17 H17 120.0 . . ?
C17 C18 H18 120.3 . . ?
C17 C18 C19 119.4(2) . . ?
C19 C18 H18 120.3 . . ?
C14 C19 C18 121.6(2) . . ?
C14 C19 H19 119.2 . . ?
C18 C19 H19 119.2 . . ?
C8 C20 H20A 108.4 . . ?
C8 C20 H20B 108.4 . . ?
H20A C20 H20B 107.5 . . ?
C21 C20 C8 115.30(15) . . ?
C21 C20 H20A 108.4 . . ?
C21 C20 H20B 108.4 . . ?
C22 C21 C20 120.57(19) . . ?
C22 C21 C26 118.38(19) . . ?
C26 C21 C20 121.05(18) . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C23 121.0(2) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 120.1 . . ?
C24 C23 C22 119.9(2) . . ?
C24 C23 H23 120.1 . . ?
C23 C24 H24 120.1 . . ?
C25 C24 C23 119.7(2) . . ?
C25 C24 H24 120.1 . . ?
C24 C25 H25 120.0 . . ?
C24 C25 C26 120.0(2) . . ?
C26 C25 H25 120.0 . . ?
C21 C26 H26 119.5 . . ?
C25 C26 C21 121.0(2) . . ?
C25 C26 H26 119.5 . . ?
H27A C27 H27B 108.1 . . ?
C28 C27 H27A 109.5 . . ?
C28 C27 H27B 109.5 . . ?
C34 C27 H27A 109.5 . . ?
C34 C27 H27B 109.5 . . ?
C34 C27 C28 110.72(17) . . ?
C27 C28 H28A 109.2 . . ?
C27 C28 H28B 109.2 . . ?
H28A C28 H28B 107.9 . . ?
C29 C28 C27 111.93(17) . . ?
C29 C28 H28A 109.2 . . ?
C29 C28 H28B 109.2 . . ?
Rh2 C29 H29 114.1 . . ?
C28 C29 Rh2 111.69(13) . . ?
C28 C29 H29 114.1 . . ?
C30 C29 Rh2 70.76(11) . . ?
C30 C29 C28 124.32(18) . . ?
C30 C29 H29 114.1 . . ?
Rh2 C30 H30 113.0 . . ?
C29 C30 Rh2 71.28(11) . . ?
C29 C30 H30 113.0 . . ?
C29 C30 C31 125.25(18) . . ?
C31 C30 Rh2 114.55(13) . . ?
C31 C30 H30 113.0 . . ?
C30 C31 H31A 108.9 . . ?
C30 C31 H31B 108.9 . . ?
C30 C31 C32 113.46(16) . . ?
H31A C31 H31B 107.7 . . ?
C32 C31 H31A 108.9 . . ?
C32 C31 H31B 108.9 . . ?
C31 C32 H32A 109.1 . . ?
C31 C32 H32B 109.1 . . ?
H32A C32 H32B 107.8 . . ?
C33 C32 C31 112.61(16) . . ?
C33 C32 H32A 109.1 . . ?
C33 C32 H32B 109.1 . . ?
Rh2 C33 H33 114.5 . . ?
C32 C33 Rh2 112.61(13) . . ?
C32 C33 H33 114.5 . . ?
C34 C33 Rh2 70.77(11) . . ?
C34 C33 C32 122.28(19) . . ?
C34 C33 H33 114.5 . . ?
Rh2 C34 H34 113.4 . . ?
C27 C34 Rh2 115.18(13) . . ?
C27 C34 H34 113.4 . . ?
C33 C34 Rh2 71.89(11) . . ?
C33 C34 C27 123.08(18) . . ?
C33 C34 H34 113.4 . . ?
C36 P35 B7 112.57(9) . . ?
C36 P35 C42 104.32(9) . . ?
C42 P35 B7 117.49(9) . . ?
C48 P35 B7 113.54(9) . . ?
C48 P35 C36 107.81(9) . . ?
C48 P35 C42 99.86(9) . . ?
C37 C36 P35 119.84(14) . . ?
C37 C36 C41 118.82(18) . . ?
C41 C36 P35 121.23(15) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 C36 120.70(18) . . ?
C38 C37 H37 119.7 . . ?
C37 C38 H38 120.1 . . ?
C39 C38 C37 119.9(2) . . ?
C39 C38 H38 120.1 . . ?
C38 C39 H39 120.0 . . ?
C40 C39 C38 119.9(2) . . ?
C40 C39 H39 120.0 . . ?
C39 C40 H40 119.7 . . ?
C39 C40 C41 120.55(19) . . ?
C41 C40 H40 119.7 . . ?
C36 C41 H41 119.9 . . ?
C40 C41 C36 120.13(19) . . ?
C40 C41 H41 119.9 . . ?
C43 C42 P35 121.82(16) . . ?
C43 C42 C47 119.35(19) . . ?
C47 C42 P35 118.72(15) . . ?
C42 C43 H43 119.9 . . ?
C44 C43 C42 120.2(2) . . ?
C44 C43 H43 119.9 . . ?
C43 C44 H44 119.9 . . ?
C45 C44 C43 120.14(19) . . ?
C45 C44 H44 119.9 . . ?
C44 C45 H45 120.0 . . ?
C44 C45 C46 120.0(2) . . ?
C46 C45 H45 120.0 . . ?
C45 C46 H46 119.9 . . ?
C47 C46 C45 120.1(2) . . ?
C47 C46 H46 119.9 . . ?
C42 C47 H47 119.9 . . ?
C46 C47 C42 120.24(19) . . ?
C46 C47 H47 119.9 . . ?
C49 C48 P35 117.88(15) . . ?
C53 C48 P35 123.28(15) . . ?
C53 C48 C49 118.80(18) . . ?
C48 C49 H49 119.5 . . ?
C50 C49 C48 120.94(19) . . ?
C50 C49 H49 119.5 . . ?
C49 C50 H50 120.2 . . ?
C49 C50 C51 119.6(2) . . ?
C51 C50 H50 120.2 . . ?
C50 C51 H51 120.0 . . ?
C50 C51 C52 120.04(19) . . ?
C52 C51 H51 120.0 . . ?
C51 C52 H52 119.8 . . ?
C53 C52 C51 120.4(2) . . ?
C53 C52 H52 119.8 . . ?
C48 C53 H53 119.9 . . ?
C52 C53 C48 120.19(19) . . ?
C52 C53 H53 119.9 . . ?
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
C1 Rh2 2.3258(19) . ?
C1 B3 1.691(3) . ?
C1 B4 1.680(3) . ?
C1 B5 1.706(3) . ?
C1 B6 1.733(3) . ?
C1 C13 1.547(3) . ?
Rh2 B3 2.180(2) . ?
Rh2 B6 2.182(2) . ?
Rh2 B7 2.226(2) . ?
Rh2 B11 2.255(2) . ?
Rh2 C29 2.1689(19) . ?
Rh2 C30 2.1622(18) . ?
Rh2 C33 2.1861(18) . ?
Rh2 C34 2.1717(19) . ?
B3 H3 1.08(2) . ?
B3 B4 1.803(3) . ?
B3 B7 1.840(3) . ?
B3 C8 1.766(3) . ?
B4 H4 1.11(2) . ?
B4 B5 1.738(3) . ?
B4 C8 1.707(3) . ?
B4 B9 1.753(3) . ?
B5 H5 1.08(2) . ?
B5 B6 1.798(3) . ?
B5 B9 1.745(3) . ?
B5 B10 1.773(3) . ?
B6 H6 1.14(2) . ?
B6 B10 1.797(3) . ?
B6 B11 1.839(3) . ?
B7 C8 1.757(3) . ?
B7 B11 1.785(3) . ?
B7 B12 1.792(3) . ?
B7 P35 1.964(2) . ?
C8 B9 1.733(3) . ?
C8 B12 1.727(3) . ?
C8 C20 1.552(2) . ?
B9 H9 1.06(2) . ?
B9 B10 1.763(3) . ?
B9 B12 1.777(3) . ?
B10 H10 1.08(2) . ?
B10 B11 1.776(3) . ?
B10 B12 1.768(3) . ?
B11 H11 1.11(2) . ?
B11 B12 1.785(3) . ?
B12 H12 1.07(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C13 C14 1.512(3) . ?
C14 C15 1.393(3) . ?
C14 C19 1.382(3) . ?
C15 H15 0.9500 . ?
C15 C16 1.393(3) . ?
C16 H16 0.9500 . ?
C16 C17 1.382(3) . ?
C17 H17 0.9500 . ?
C17 C18 1.380(3) . ?
C18 H18 0.9500 . ?
C18 C19 1.392(3) . ?
C19 H19 0.9500 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C20 C21 1.515(3) . ?
C21 C22 1.391(3) . ?
C21 C26 1.391(3) . ?
C22 H22 0.9500 . ?
C22 C23 1.392(3) . ?
C23 H23 0.9500 . ?
C23 C24 1.389(3) . ?
C24 H24 0.9500 . ?
C24 C25 1.385(3) . ?
C25 H25 0.9500 . ?
C25 C26 1.389(3) . ?
C26 H26 0.9500 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C27 C28 1.531(3) . ?
C27 C34 1.523(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 C29 1.513(3) . ?
C29 H29 1.0000 . ?
C29 C30 1.408(3) . ?
C30 H30 1.0000 . ?
C30 C31 1.529(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C31 C32 1.540(3) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C32 C33 1.509(3) . ?
C33 H33 1.0000 . ?
C33 C34 1.395(3) . ?
C34 H34 1.0000 . ?
P35 C36 1.818(2) . ?
P35 C42 1.818(2) . ?
P35 C48 1.8182(19) . ?
C36 C37 1.396(3) . ?
C36 C41 1.396(3) . ?
C37 H37 0.9500 . ?
C37 C38 1.389(3) . ?
C38 H38 0.9500 . ?
C38 C39 1.385(3) . ?
C39 H39 0.9500 . ?
C39 C40 1.382(3) . ?
C40 H40 0.9500 . ?
C40 C41 1.388(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.394(3) . ?
C42 C47 1.396(3) . ?
C43 H43 0.9500 . ?
C43 C44 1.390(3) . ?
C44 H44 0.9500 . ?
C44 C45 1.381(3) . ?
C45 H45 0.9500 . ?
C45 C46 1.394(3) . ?
C46 H46 0.9500 . ?
C46 C47 1.382(3) . ?
C47 H47 0.9500 . ?
C48 C49 1.401(3) . ?
C48 C53 1.389(3) . ?
C49 H49 0.9500 . ?
C49 C50 1.381(3) . ?
C50 H50 0.9500 . ?
C50 C51 1.385(3) . ?
C51 H51 0.9500 . ?
C51 C52 1.386(3) . ?
C52 H52 0.9500 . ?
C52 C53 1.386(3) . ?
C53 H53 0.9500 . ?
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
C1 B3 B4 B5 -36.30(15) . . . . ?
C1 B3 B4 C8 -135.95(16) . . . . ?
C1 B3 B4 B9 -99.64(16) . . . . ?
C1 B3 B7 Rh2 -59.45(12) . . . . ?
C1 B3 B7 C8 92.32(15) . . . . ?
C1 B3 B7 B11 -5.4(2) . . . . ?
C1 B3 B7 B12 57.18(18) . . . . ?
C1 B3 B7 P35 -165.21(13) . . . . ?
C1 B3 C8 B4 36.84(13) . . . . ?
C1 B3 C8 B7 -106.48(15) . . . . ?
C1 B3 C8 B9 -0.73(19) . . . . ?
C1 B3 C8 B12 -68.09(18) . . . . ?
C1 B3 C8 C20 139.46(16) . . . . ?
C1 B4 B5 B6 -36.34(15) . . . . ?
C1 B4 B5 B9 -138.31(16) . . . . ?
C1 B4 B5 B10 -99.81(16) . . . . ?
C1 B4 C8 B3 -37.70(13) . . . . ?
C1 B4 C8 B7 -1.7(2) . . . . ?
C1 B4 C8 B9 102.11(16) . . . . ?
C1 B4 C8 B12 66.74(19) . . . . ?
C1 B4 C8 C20 -149.40(15) . . . . ?
C1 B4 B9 B5 37.21(14) . . . . ?
C1 B4 B9 C8 -97.87(16) . . . . ?
C1 B4 B9 B10 -1.46(19) . . . . ?
C1 B4 B9 B12 -64.76(19) . . . . ?
C1 B5 B6 Rh2 -29.17(15) . . . . ?
C1 B5 B6 B10 -137.55(16) . . . . ?
C1 B5 B6 B11 -103.65(16) . . . . ?
C1 B5 B9 B4 -36.34(14) . . . . ?
C1 B5 B9 C8 2.29(19) . . . . ?
C1 B5 B9 B10 100.57(16) . . . . ?
C1 B5 B9 B12 64.09(19) . . . . ?
C1 B5 B10 B6 37.41(14) . . . . ?
C1 B5 B10 B9 -100.14(16) . . . . ?
C1 B5 B10 B11 1.1(2) . . . . ?
C1 B5 B10 B12 -63.66(19) . . . . ?
C1 B6 B10 B5 -36.26(13) . . . . ?
C1 B6 B10 B9 1.12(19) . . . . ?
C1 B6 B10 B11 105.15(15) . . . . ?
C1 B6 B10 B12 64.92(18) . . . . ?
C1 B6 B11 Rh2 59.01(12) . . . . ?
C1 B6 B11 B7 6.2(2) . . . . ?
C1 B6 B11 B10 -95.57(16) . . . . ?
C1 B6 B11 B12 -56.45(19) . . . . ?
C1 C13 C14 C15 84.1(2) . . . . ?
C1 C13 C14 C19 -91.3(2) . . . . ?
Rh2 C1 B3 B4 153.19(13) . . . . ?
Rh2 C1 B3 B7 55.92(12) . . . . ?
Rh2 C1 B3 C8 116.44(13) . . . . ?
Rh2 C1 B4 B3 -28.43(13) . . . . ?
Rh2 C1 B4 B5 110.62(15) . . . . ?
Rh2 C1 B4 C8 10.4(2) . . . . ?
Rh2 C1 B4 B9 73.36(17) . . . . ?
Rh2 C1 B5 B4 -112.34(15) . . . . ?
Rh2 C1 B5 B6 26.17(13) . . . . ?
Rh2 C1 B5 B9 -75.09(17) . . . . ?
Rh2 C1 B5 B10 -11.8(2) . . . . ?
Rh2 C1 B6 B5 -154.89(13) . . . . ?
Rh2 C1 B6 B10 -118.02(14) . . . . ?
Rh2 C1 B6 B11 -56.52(12) . . . . ?
Rh2 C1 C13 C14 -142.48(14) . . . . ?
Rh2 B3 B4 C1 31.19(15) . . . . ?
Rh2 B3 B4 B5 -5.1(2) . . . . ?
Rh2 B3 B4 C8 -104.75(16) . . . . ?
Rh2 B3 B4 B9 -68.4(2) . . . . ?
Rh2 B3 B7 C8 151.77(12) . . . . ?
Rh2 B3 B7 B11 54.00(12) . . . . ?
Rh2 B3 B7 B12 116.63(13) . . . . ?
Rh2 B3 B7 P35 -105.76(14) . . . . ?
Rh2 B3 C8 B4 113.66(15) . . . . ?
Rh2 B3 C8 B7 -29.65(12) . . . . ?
Rh2 B3 C8 B9 76.10(17) . . . . ?
Rh2 B3 C8 B12 8.7(2) . . . . ?
Rh2 B3 C8 C20 -143.72(14) . . . . ?
Rh2 B6 B10 B5 -113.89(16) . . . . ?
Rh2 B6 B10 B9 -76.51(18) . . . . ?
Rh2 B6 B10 B11 27.52(14) . . . . ?
Rh2 B6 B10 B12 -12.7(2) . . . . ?
Rh2 B6 B11 B7 -52.84(11) . . . . ?
Rh2 B6 B11 B10 -154.58(13) . . . . ?
Rh2 B6 B11 B12 -115.47(13) . . . . ?
Rh2 B7 C8 B3 28.43(12) . . . . ?
Rh2 B7 C8 B4 -7.4(2) . . . . ?
Rh2 B7 C8 B9 -75.24(17) . . . . ?
Rh2 B7 C8 B12 -111.00(15) . . . . ?
Rh2 B7 C8 C20 136.94(15) . . . . ?
Rh2 B7 B11 B6 51.49(11) . . . . ?
Rh2 B7 B11 B10 113.60(14) . . . . ?
Rh2 B7 B11 B12 151.54(13) . . . . ?
Rh2 B7 B12 C8 104.38(15) . . . . ?
Rh2 B7 B12 B9 70.62(18) . . . . ?
Rh2 B7 B12 B10 7.4(2) . . . . ?
Rh2 B7 B12 B11 -30.73(14) . . . . ?
Rh2 B11 B12 B7 29.90(13) . . . . ?
Rh2 B11 B12 C8 -9.57(19) . . . . ?
Rh2 B11 B12 B9 -72.01(18) . . . . ?
Rh2 B11 B12 B10 -107.15(16) . . . . ?
Rh2 C29 C30 C31 -107.32(18) . . . . ?
Rh2 C30 C31 C32 6.6(2) . . . . ?
Rh2 C33 C34 C27 -108.73(18) . . . . ?
B3 C1 B4 B5 139.04(16) . . . . ?
B3 C1 B4 C8 38.81(14) . . . . ?
B3 C1 B4 B9 101.79(16) . . . . ?
B3 C1 B5 B4 -40.26(16) . . . . ?
B3 C1 B5 B6 98.26(17) . . . . ?
B3 C1 B5 B9 -3.0(2) . . . . ?
B3 C1 B5 B10 60.31(19) . . . . ?
B3 C1 B6 Rh2 46.82(12) . . . . ?
B3 C1 B6 B5 -108.06(16) . . . . ?
B3 C1 B6 B10 -71.20(17) . . . . ?
B3 C1 B6 B11 -9.7(2) . . . . ?
B3 C1 C13 C14 147.01(17) . . . . ?
B3 B4 B5 C1 35.46(14) . . . . ?
B3 B4 B5 B6 -0.9(2) . . . . ?
B3 B4 B5 B9 -102.85(17) . . . . ?
B3 B4 B5 B10 -64.3(2) . . . . ?
B3 B4 C8 B7 35.99(15) . . . . ?
B3 B4 C8 B9 139.81(15) . . . . ?
B3 B4 C8 B12 104.44(16) . . . . ?
B3 B4 C8 C20 -111.70(17) . . . . ?
B3 B4 B9 B5 98.67(17) . . . . ?
B3 B4 B9 C8 -36.41(14) . . . . ?
B3 B4 B9 B10 60.00(19) . . . . ?
B3 B4 B9 B12 -3.3(2) . . . . ?
B3 B7 C8 B4 -35.83(15) . . . . ?
B3 B7 C8 B9 -103.67(17) . . . . ?
B3 B7 C8 B12 -139.43(15) . . . . ?
B3 B7 C8 C20 108.51(19) . . . . ?
B3 B7 B11 Rh2 -51.99(11) . . . . ?
B3 B7 B11 B6 -0.50(18) . . . . ?
B3 B7 B11 B10 61.62(19) . . . . ?
B3 B7 B11 B12 99.56(15) . . . . ?
B3 B7 B12 C8 35.37(13) . . . . ?
B3 B7 B12 B9 1.61(19) . . . . ?
B3 B7 B12 B10 -61.58(18) . . . . ?
B3 B7 B12 B11 -99.74(16) . . . . ?
B3 C8 B9 B4 38.10(15) . . . . ?
B3 C8 B9 B5 -0.98(19) . . . . ?
B3 C8 B9 B10 -63.94(19) . . . . ?
B3 C8 B9 B12 -104.64(16) . . . . ?
B3 C8 B12 B7 -38.83(14) . . . . ?
B3 C8 B12 B9 103.61(16) . . . . ?
B3 C8 B12 B10 63.02(18) . . . . ?
B3 C8 B12 B11 0.62(19) . . . . ?
B3 C8 C20 C21 -155.71(16) . . . . ?
B4 C1 B3 Rh2 -153.19(13) . . . . ?
B4 C1 B3 B7 -97.27(16) . . . . ?
B4 C1 B3 C8 -36.74(13) . . . . ?
B4 C1 B5 B6 138.52(16) . . . . ?
B4 C1 B5 B9 37.25(15) . . . . ?
B4 C1 B5 B10 100.57(17) . . . . ?
B4 C1 B6 Rh2 115.91(13) . . . . ?
B4 C1 B6 B5 -38.98(15) . . . . ?
B4 C1 B6 B10 -2.11(19) . . . . ?
B4 C1 B6 B11 59.39(19) . . . . ?
B4 C1 C13 C14 73.0(2) . . . . ?
B4 B3 B7 Rh2 -120.16(13) . . . . ?
B4 B3 B7 C8 31.61(13) . . . . ?
B4 B3 B7 B11 -66.16(18) . . . . ?
B4 B3 B7 B12 -3.53(19) . . . . ?
B4 B3 B7 P35 134.08(15) . . . . ?
B4 B3 C8 B7 -143.31(15) . . . . ?
B4 B3 C8 B9 -37.57(14) . . . . ?
B4 B3 C8 B12 -104.93(16) . . . . ?
B4 B3 C8 C20 102.62(18) . . . . ?
B4 B5 B6 C1 35.97(15) . . . . ?
B4 B5 B6 Rh2 6.8(2) . . . . ?
B4 B5 B6 B10 -101.58(17) . . . . ?
B4 B5 B6 B11 -67.68(19) . . . . ?
B4 B5 B9 C8 38.63(14) . . . . ?
B4 B5 B9 B10 136.91(16) . . . . ?
B4 B5 B9 B12 100.43(16) . . . . ?
B4 B5 B10 B6 98.93(16) . . . . ?
B4 B5 B10 B9 -38.62(15) . . . . ?
B4 B5 B10 B11 62.6(2) . . . . ?
B4 B5 B10 B12 -2.1(2) . . . . ?
B4 C8 B9 B5 -39.08(14) . . . . ?
B4 C8 B9 B10 -102.04(17) . . . . ?
B4 C8 B9 B12 -142.74(16) . . . . ?
B4 C8 B12 B7 -107.28(16) . . . . ?
B4 C8 B12 B9 35.16(15) . . . . ?
B4 C8 B12 B10 -5.4(2) . . . . ?
B4 C8 B12 B11 -67.83(18) . . . . ?
B4 C8 C20 C21 -85.4(2) . . . . ?
B4 B9 B10 B5 38.17(14) . . . . ?
B4 B9 B10 B6 0.17(19) . . . . ?
B4 B9 B10 B11 -65.6(2) . . . . ?
B4 B9 B10 B12 -101.38(16) . . . . ?
B4 B9 B12 B7 1.0(2) . . . . ?
B4 B9 B12 C8 -33.00(14) . . . . ?
B4 B9 B12 B10 100.10(17) . . . . ?
B4 B9 B12 B11 64.84(19) . . . . ?
B5 C1 B3 Rh2 -114.15(14) . . . . ?
B5 C1 B3 B4 39.03(15) . . . . ?
B5 C1 B3 B7 -58.24(19) . . . . ?
B5 C1 B3 C8 2.29(19) . . . . ?
B5 C1 B4 B3 -139.04(16) . . . . ?
B5 C1 B4 C8 -100.23(16) . . . . ?
B5 C1 B4 B9 -37.25(15) . . . . ?
B5 C1 B6 Rh2 154.89(13) . . . . ?
B5 C1 B6 B10 36.87(14) . . . . ?
B5 C1 B6 B11 98.37(17) . . . . ?
B5 C1 C13 C14 3.0(2) . . . . ?
B5 B4 C8 B3 -100.23(16) . . . . ?
B5 B4 C8 B7 -64.24(19) . . . . ?
B5 B4 C8 B9 39.58(14) . . . . ?
B5 B4 C8 B12 4.2(2) . . . . ?
B5 B4 C8 C20 148.08(16) . . . . ?
B5 B4 B9 C8 -135.08(16) . . . . ?
B5 B4 B9 B10 -38.67(14) . . . . ?
B5 B4 B9 B12 -101.97(17) . . . . ?
B5 B6 B10 B9 37.38(14) . . . . ?
B5 B6 B10 B11 141.41(15) . . . . ?
B5 B6 B10 B12 101.18(16) . . . . ?
B5 B6 B11 Rh2 120.42(14) . . . . ?
B5 B6 B11 B7 67.58(18) . . . . ?
B5 B6 B11 B10 -34.16(14) . . . . ?
B5 B6 B11 B12 4.96(19) . . . . ?
B5 B9 B10 B6 -37.99(14) . . . . ?
B5 B9 B10 B11 -103.80(18) . . . . ?
B5 B9 B10 B12 -139.54(16) . . . . ?
B5 B9 B12 B7 -62.29(19) . . . . ?
B5 B9 B12 C8 -96.30(16) . . . . ?
B5 B9 B12 B10 36.81(15) . . . . ?
B5 B9 B12 B11 1.5(2) . . . . ?
B5 B10 B11 Rh2 9.9(2) . . . . ?
B5 B10 B11 B6 35.74(15) . . . . ?
B5 B10 B11 B7 -61.2(2) . . . . ?
B5 B10 B11 B12 -99.46(17) . . . . ?
B5 B10 B12 B7 66.92(18) . . . . ?
B5 B10 B12 C8 4.5(2) . . . . ?
B5 B10 B12 B9 -35.93(15) . . . . ?
B5 B10 B12 B11 105.02(17) . . . . ?
B6 C1 B3 Rh2 -46.62(12) . . . . ?
B6 C1 B3 B4 106.56(16) . . . . ?
B6 C1 B3 B7 9.30(19) . . . . ?
B6 C1 B3 C8 69.82(17) . . . . ?
B6 C1 B4 B3 -99.52(16) . . . . ?
B6 C1 B4 B5 39.53(15) . . . . ?
B6 C1 B4 C8 -60.71(18) . . . . ?
B6 C1 B4 B9 2.3(2) . . . . ?
B6 C1 B5 B4 -138.52(16) . . . . ?
B6 C1 B5 B9 -101.26(17) . . . . ?
B6 C1 B5 B10 -37.95(14) . . . . ?
B6 C1 C13 C14 -71.6(2) . . . . ?
B6 B5 B9 B4 -98.77(16) . . . . ?
B6 B5 B9 C8 -60.14(18) . . . . ?
B6 B5 B9 B10 38.14(14) . . . . ?
B6 B5 B9 B12 1.7(2) . . . . ?
B6 B5 B10 B9 -137.55(15) . . . . ?
B6 B5 B10 B11 -36.32(15) . . . . ?
B6 B5 B10 B12 -101.07(16) . . . . ?
B6 B10 B11 Rh2 -25.80(13) . . . . ?
B6 B10 B11 B7 -96.92(16) . . . . ?
B6 B10 B11 B12 -135.19(16) . . . . ?
B6 B10 B12 B7 2.8(2) . . . . ?
B6 B10 B12 C8 -59.64(18) . . . . ?
B6 B10 B12 B9 -100.03(17) . . . . ?
B6 B10 B12 B11 40.92(15) . . . . ?
B6 B11 B12 B7 97.91(16) . . . . ?
B6 B11 B12 C8 58.45(18) . . . . ?
B6 B11 B12 B9 -4.00(19) . . . . ?
B6 B11 B12 B10 -39.14(14) . . . . ?
B7 B3 B4 C1 103.89(16) . . . . ?
B7 B3 B4 B5 67.59(19) . . . . ?
B7 B3 B4 C8 -32.06(13) . . . . ?
B7 B3 B4 B9 4.3(2) . . . . ?
B7 B3 C8 B4 143.31(15) . . . . ?
B7 B3 C8 B9 105.75(16) . . . . ?
B7 B3 C8 B12 38.39(14) . . . . ?
B7 B3 C8 C20 -114.07(18) . . . . ?
B7 C8 B9 B4 106.94(17) . . . . ?
B7 C8 B9 B5 67.86(19) . . . . ?
B7 C8 B9 B10 4.9(2) . . . . ?
B7 C8 B9 B12 -35.80(15) . . . . ?
B7 C8 B12 B9 142.44(16) . . . . ?
B7 C8 B12 B10 101.85(16) . . . . ?
B7 C8 B12 B11 39.46(14) . . . . ?
B7 C8 C20 C21 129.60(18) . . . . ?
B7 B11 B12 C8 -39.47(14) . . . . ?
B7 B11 B12 B9 -101.91(16) . . . . ?
B7 B11 B12 B10 -137.05(16) . . . . ?
B7 P35 C36 C37 -46.15(19) . . . . ?
B7 P35 C36 C41 137.71(16) . . . . ?
B7 P35 C42 C43 112.36(17) . . . . ?
B7 P35 C42 C47 -71.39(18) . . . . ?
B7 P35 C48 C49 166.87(16) . . . . ?
B7 P35 C48 C53 -10.8(2) . . . . ?
C8 B3 B4 C1 135.95(16) . . . . ?
C8 B3 B4 B5 99.65(17) . . . . ?
C8 B3 B4 B9 36.31(14) . . . . ?
C8 B3 B7 Rh2 -151.77(12) . . . . ?
C8 B3 B7 B11 -97.77(15) . . . . ?
C8 B3 B7 B12 -35.14(13) . . . . ?
C8 B3 B7 P35 102.47(16) . . . . ?
C8 B4 B5 C1 98.67(16) . . . . ?
C8 B4 B5 B6 62.33(19) . . . . ?
C8 B4 B5 B9 -39.63(14) . . . . ?
C8 B4 B5 B10 -1.1(2) . . . . ?
C8 B4 B9 B5 135.08(16) . . . . ?
C8 B4 B9 B10 96.41(16) . . . . ?
C8 B4 B9 B12 33.11(14) . . . . ?
C8 B7 B11 Rh2 -113.18(13) . . . . ?
C8 B7 B11 B6 -61.69(17) . . . . ?
C8 B7 B11 B10 0.4(2) . . . . ?
C8 B7 B11 B12 38.36(14) . . . . ?
C8 B7 B12 B9 -33.76(14) . . . . ?
C8 B7 B12 B10 -96.96(16) . . . . ?
C8 B7 B12 B11 -135.11(16) . . . . ?
C8 B9 B10 B5 99.34(16) . . . . ?
C8 B9 B10 B6 61.35(18) . . . . ?
C8 B9 B10 B11 -4.5(2) . . . . ?
C8 B9 B10 B12 -40.20(14) . . . . ?
C8 B9 B12 B7 34.01(14) . . . . ?
C8 B9 B12 B10 133.11(16) . . . . ?
C8 B9 B12 B11 97.84(16) . . . . ?
C8 C20 C21 C22 93.4(2) . . . . ?
C8 C20 C21 C26 -86.1(2) . . . . ?
B9 B4 B5 C1 138.31(16) . . . . ?
B9 B4 B5 B6 101.96(17) . . . . ?
B9 B4 B5 B10 38.50(15) . . . . ?
B9 B4 C8 B3 -139.81(15) . . . . ?
B9 B4 C8 B7 -103.82(16) . . . . ?
B9 B4 C8 B12 -35.37(15) . . . . ?
B9 B4 C8 C20 108.49(17) . . . . ?
B9 B5 B6 C1 99.52(16) . . . . ?
B9 B5 B6 Rh2 70.3(2) . . . . ?
B9 B5 B6 B10 -38.03(14) . . . . ?
B9 B5 B6 B11 -4.1(2) . . . . ?
B9 B5 B10 B6 137.55(15) . . . . ?
B9 B5 B10 B11 101.22(16) . . . . ?
B9 B5 B10 B12 36.48(15) . . . . ?
B9 C8 B12 B7 -142.44(16) . . . . ?
B9 C8 B12 B10 -40.59(14) . . . . ?
B9 C8 B12 B11 -102.99(16) . . . . ?
B9 C8 C20 C21 -17.3(2) . . . . ?
B9 B10 B11 Rh2 73.69(18) . . . . ?
B9 B10 B11 B6 99.49(17) . . . . ?
B9 B10 B11 B7 2.6(2) . . . . ?
B9 B10 B11 B12 -35.71(16) . . . . ?
B9 B10 B12 B7 102.84(16) . . . . ?
B9 B10 B12 C8 40.39(14) . . . . ?
B9 B10 B12 B11 140.95(17) . . . . ?
B10 B5 B6 C1 137.55(16) . . . . ?
B10 B5 B6 Rh2 108.38(17) . . . . ?
B10 B5 B6 B11 33.90(14) . . . . ?
B10 B5 B9 B4 -136.91(16) . . . . ?
B10 B5 B9 C8 -98.28(15) . . . . ?
B10 B5 B9 B12 -36.47(14) . . . . ?
B10 B6 B11 Rh2 154.58(13) . . . . ?
B10 B6 B11 B7 101.74(16) . . . . ?
B10 B6 B11 B12 39.11(14) . . . . ?
B10 B9 B12 B7 -99.10(17) . . . . ?
B10 B9 B12 C8 -133.11(16) . . . . ?
B10 B9 B12 B11 -35.27(15) . . . . ?
B10 B11 B12 B7 137.05(16) . . . . ?
B10 B11 B12 C8 97.58(16) . . . . ?
B10 B11 B12 B9 35.14(15) . . . . ?
B11 B6 B10 B5 -141.41(15) . . . . ?
B11 B6 B10 B9 -104.04(16) . . . . ?
B11 B6 B10 B12 -40.23(14) . . . . ?
B11 B7 C8 B3 100.27(15) . . . . ?
B11 B7 C8 B4 64.44(19) . . . . ?
B11 B7 C8 B9 -3.4(2) . . . . ?
B11 B7 C8 B12 -39.16(14) . . . . ?
B11 B7 C8 C20 -151.23(17) . . . . ?
B11 B7 B12 C8 135.11(16) . . . . ?
B11 B7 B12 B9 101.35(17) . . . . ?
B11 B7 B12 B10 38.15(14) . . . . ?
B11 B10 B12 B7 -38.11(14) . . . . ?
B11 B10 B12 C8 -100.56(16) . . . . ?
B11 B10 B12 B9 -140.95(17) . . . . ?
B12 B7 C8 B3 139.43(15) . . . . ?
B12 B7 C8 B4 103.60(17) . . . . ?
B12 B7 C8 B9 35.76(15) . . . . ?
B12 B7 C8 C20 -112.07(19) . . . . ?
B12 B7 B11 Rh2 -151.54(13) . . . . ?
B12 B7 B11 B6 -100.05(16) . . . . ?
B12 B7 B11 B10 -37.94(15) . . . . ?
B12 C8 B9 B4 142.74(16) . . . . ?
B12 C8 B9 B5 103.66(16) . . . . ?
B12 C8 B9 B10 40.69(15) . . . . ?
B12 C8 C20 C21 54.6(2) . . . . ?
B12 B9 B10 B5 139.54(16) . . . . ?
B12 B9 B10 B6 101.55(16) . . . . ?
B12 B9 B10 B11 35.74(16) . . . . ?
B12 B10 B11 Rh2 109.40(15) . . . . ?
B12 B10 B11 B6 135.19(16) . . . . ?
B12 B10 B11 B7 38.27(15) . . . . ?
C13 C1 B3 Rh2 100.41(16) . . . . ?
C13 C1 B3 B4 -106.41(19) . . . . ?
C13 C1 B3 B7 156.32(16) . . . . ?
C13 C1 B3 C8 -143.15(16) . . . . ?
C13 C1 B4 B3 111.85(18) . . . . ?
C13 C1 B4 B5 -109.10(18) . . . . ?
C13 C1 B4 C8 150.66(15) . . . . ?
C13 C1 B4 B9 -146.36(16) . . . . ?
C13 C1 B5 B4 105.75(19) . . . . ?
C13 C1 B5 B6 -115.73(18) . . . . ?
C13 C1 B5 B9 143.00(17) . . . . ?
C13 C1 B5 B10 -153.68(16) . . . . ?
C13 C1 B6 Rh2 -98.41(17) . . . . ?
C13 C1 B6 B5 106.71(19) . . . . ?
C13 C1 B6 B10 143.57(17) . . . . ?
C13 C1 B6 B11 -154.93(17) . . . . ?
C13 C14 C15 C16 -174.0(2) . . . . ?
C13 C14 C19 C18 173.8(2) . . . . ?
C14 C15 C16 C17 -0.1(4) . . . . ?
C15 C14 C19 C18 -1.7(3) . . . . ?
C15 C16 C17 C18 -1.1(4) . . . . ?
C16 C17 C18 C19 0.9(4) . . . . ?
C17 C18 C19 C14 0.5(4) . . . . ?
C19 C14 C15 C16 1.5(3) . . . . ?
C20 C8 B9 B4 -103.14(18) . . . . ?
C20 C8 B9 B5 -142.22(17) . . . . ?
C20 C8 B9 B10 154.81(16) . . . . ?
C20 C8 B9 B12 114.12(18) . . . . ?
C20 C8 B12 B7 112.58(18) . . . . ?
C20 C8 B12 B9 -104.98(18) . . . . ?
C20 C8 B12 B10 -145.57(16) . . . . ?
C20 C8 B12 B11 152.03(16) . . . . ?
C20 C21 C22 C23 -177.29(17) . . . . ?
C20 C21 C26 C25 177.33(18) . . . . ?
C21 C22 C23 C24 -0.6(3) . . . . ?
C22 C21 C26 C25 -2.1(3) . . . . ?
C22 C23 C24 C25 -1.1(3) . . . . ?
C23 C24 C25 C26 1.1(3) . . . . ?
C24 C25 C26 C21 0.5(3) . . . . ?
C26 C21 C22 C23 2.2(3) . . . . ?
C27 C28 C29 Rh2 37.2(2) . . . . ?
C27 C28 C29 C30 -43.7(3) . . . . ?
C28 C27 C34 Rh2 15.4(2) . . . . ?
C28 C27 C34 C33 99.5(2) . . . . ?
C28 C29 C30 Rh2 103.64(18) . . . . ?
C28 C29 C30 C31 -3.7(3) . . . . ?
C29 C30 C31 C32 90.3(2) . . . . ?
C30 C31 C32 C33 -23.7(3) . . . . ?
C31 C32 C33 Rh2 29.7(2) . . . . ?
C31 C32 C33 C34 -51.2(3) . . . . ?
C32 C33 C34 Rh2 105.15(18) . . . . ?
C32 C33 C34 C27 -3.6(3) . . . . ?
C34 C27 C28 C29 -33.9(2) . . . . ?
P35 B7 C8 B3 -115.24(15) . . . . ?
P35 B7 C8 B4 -151.07(14) . . . . ?
P35 B7 C8 B9 141.09(14) . . . . ?
P35 B7 C8 B12 105.33(16) . . . . ?
P35 B7 C8 C20 -6.7(2) . . . . ?
P35 B7 B11 Rh2 107.11(15) . . . . ?
P35 B7 B11 B6 158.60(14) . . . . ?
P35 B7 B11 B10 -139.29(16) . . . . ?
P35 B7 B11 B12 -101.35(18) . . . . ?
P35 B7 B12 C8 -106.17(15) . . . . ?
P35 B7 B12 B9 -139.93(14) . . . . ?
P35 B7 B12 B10 156.88(13) . . . . ?
P35 B7 B12 B11 118.72(16) . . . . ?
P35 C36 C37 C38 -176.56(16) . . . . ?
P35 C36 C41 C40 175.90(16) . . . . ?
P35 C42 C43 C44 177.46(15) . . . . ?
P35 C42 C47 C46 -176.47(15) . . . . ?
P35 C48 C49 C50 -179.85(17) . . . . ?
P35 C48 C53 C52 178.13(16) . . . . ?
C36 P35 C42 C43 -13.05(19) . . . . ?
C36 P35 C42 C47 163.20(15) . . . . ?
C36 P35 C48 C49 -67.69(18) . . . . ?
C36 P35 C48 C53 114.68(17) . . . . ?
C36 C37 C38 C39 0.7(3) . . . . ?
C37 C36 C41 C40 -0.3(3) . . . . ?
C37 C38 C39 C40 -0.4(3) . . . . ?
C38 C39 C40 C41 -0.2(3) . . . . ?
C39 C40 C41 C36 0.6(3) . . . . ?
C41 C36 C37 C38 -0.3(3) . . . . ?
C42 P35 C36 C37 82.32(17) . . . . ?
C42 P35 C36 C41 -93.82(17) . . . . ?
C42 P35 C48 C49 40.94(18) . . . . ?
C42 P35 C48 C53 -136.69(18) . . . . ?
C42 C43 C44 C45 -1.5(3) . . . . ?
C43 C42 C47 C46 -0.1(3) . . . . ?
C43 C44 C45 C46 0.7(3) . . . . ?
C44 C45 C46 C47 0.4(3) . . . . ?
C45 C46 C47 C42 -0.7(3) . . . . ?
C47 C42 C43 C44 1.2(3) . . . . ?
C48 P35 C36 C37 -172.16(16) . . . . ?
C48 P35 C36 C41 11.70(19) . . . . ?
C48 P35 C42 C43 -124.44(17) . . . . ?
C48 P35 C42 C47 51.81(17) . . . . ?
C48 C49 C50 C51 2.0(3) . . . . ?
C49 C48 C53 C52 0.5(3) . . . . ?
C49 C50 C51 C52 -0.4(3) . . . . ?
C50 C51 C52 C53 -1.2(3) . . . . ?
C51 C52 C53 C48 1.1(3) . . . . ?
C53 C48 C49 C50 -2.1(3) . . . . ?
