#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/24/4112469.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_4112469
loop_
_publ_author_name
'Michael J. Ingleson'
'Mary F. Mahon'
'Paul R. Raithby'
'Andrew S. Weller'
_publ_section_title
;
 [(iPr3P)6Rh6H12]2+: A High-Hydride Content Octahedron that Bridges the
 Gap between Late and Early Transition Metal Clusters
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4784
_journal_page_last               4785
_journal_paper_doi               10.1021/ja049402n
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C82.5 H206 B22 P6 Rh6'
_chemical_formula_weight         2239.57
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 103.30
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.50300(10)
_cell_length_b                   25.48900(10)
_cell_length_c                   21.82500(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      18
_cell_measurement_theta_min      12
_cell_volume                     11641.23(9)
_computing_data_reduction
'Denzo and Scalepack (otwinowski & Minor, 1997'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       KappaCCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0662
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            205546
_diffrn_reflns_theta_full        30.08
_diffrn_reflns_theta_max         30.08
_diffrn_reflns_theta_min         3.60
_exptl_absorpt_coefficient_mu    0.949
_exptl_absorpt_correction_T_max  0.92
_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Nearly_black
_exptl_crystal_density_diffrn    1.278
_exptl_crystal_description       Block
_exptl_crystal_F_000             4684
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.629
_refine_diff_density_min         -2.201
_refine_diff_density_rms         0.138
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1251
_refine_ls_number_reflns         33956
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0480
_refine_ls_shift/su_max          1.169
_refine_ls_shift/su_mean         0.010
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0406P)²+23.9538P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1007
_refine_ls_wR_factor_ref         0.1163
_reflns_number_gt                23910
_reflns_number_total             33956
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja049402nsi20040203_034043.cif
_cod_data_source_block           c:\x-ray\k03asw23\maxus\k03asw23
_cod_original_cell_volume        11641.32(9)
_cod_original_formula_sum        'C82.50 H206 B22 P6 Rh6'
_cod_database_code               4112469
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Rh1 Rh 0.540469(13) 0.300551(13) 0.353031(16) 0.04004(8) Uani 1 1 d D A .
Rh2 Rh 0.663110(12) 0.327229(10) 0.342013(14) 0.02753(6) Uani 1 1 d D . .
Rh3 Rh 0.617295(13) 0.229783(10) 0.284433(12) 0.02905(6) Uani 1 1 d D . .
Rh4 Rh 0.596585(12) 0.203033(9) 0.401990(11) 0.02154(5) Uani 1 1 d D . .
Rh5 Rh 0.643463(12) 0.295232(10) 0.456310(12) 0.02360(6) Uani 1 1 d D . .
Rh6 Rh 0.714425(11) 0.236025(9) 0.393213(11) 0.02052(5) Uani 1 1 d D . .
P1 P 0.45342(5) 0.35140(5) 0.33219(6) 0.0514(3) Uani 1 1 d . . .
P2 P 0.69982(4) 0.39321(3) 0.29114(4) 0.02774(18) Uani 1 1 d . . .
P3 P 0.59609(4) 0.18099(4) 0.19624(4) 0.02591(18) Uani 1 1 d . . .
P4 P 0.55129(4) 0.13128(3) 0.43445(4) 0.02600(17) Uani 1 1 d . . .
P5 P 0.66063(4) 0.32857(4) 0.55410(4) 0.02804(18) Uani 1 1 d . . .
P6 P 0.81296(4) 0.20221(3) 0.42051(4) 0.02334(16) Uani 1 1 d . . .
C1 C 0.4282(4) 0.3720(3) 0.2447(4) 0.047(2) Uani 0.50 1 d P A 2
H1A H 0.4540 0.4040 0.2411 0.056 Uiso 0.50 1 calc PR A 2
C2 C 0.4413(4) 0.3335(4) 0.1940(4) 0.0360(18) Uani 0.50 1 d P A 2
H2A H 0.4091 0.3056 0.1869 0.054 Uiso 0.50 1 calc PR A 2
H2B H 0.4839 0.3180 0.2085 0.054 Uiso 0.50 1 calc PR A 2
H2C H 0.4393 0.3525 0.1546 0.054 Uiso 0.50 1 calc PR A 2
C3 C 0.3570(5) 0.3908(4) 0.2281(5) 0.063(3) Uani 0.50 1 d P A 2
H3A H 0.3483 0.4097 0.1879 0.094 Uiso 0.50 1 calc PR A 2
H3B H 0.3495 0.4141 0.2613 0.094 Uiso 0.50 1 calc PR A 2
H3C H 0.3287 0.3602 0.2245 0.094 Uiso 0.50 1 calc PR A 2
C4 C 0.3872(4) 0.3172(4) 0.3502(6) 0.068(3) Uani 0.50 1 d P A 2
H4 H 0.3510 0.3425 0.3371 0.081 Uiso 0.50 1 calc PR A 2
C05 C 0.3638(4) 0.5735(3) 0.1634(4) 0.027(2) Uiso 0.50 1 d P B 4
H05 H 0.3797 0.5602 0.2134 0.032 Uiso 0.50 1 calc PR B 4
C5 C 0.3638(12) 0.2694(11) 0.3131(16) 0.115(11) Uani 0.50 1 d P A 2
H5A H 0.3944 0.2407 0.3261 0.173 Uiso 0.50 1 calc PR A 2
H5B H 0.3595 0.2766 0.2682 0.173 Uiso 0.50 1 calc PR A 2
H5C H 0.3222 0.2593 0.3204 0.173 Uiso 0.50 1 calc PR A 2
C06 C 0.3248(5) 0.5329(4) 0.1053(5) 0.031(3) Uiso 0.50 1 d P B 5
H06 H 0.3106 0.4917 0.1138 0.037 Uiso 0.50 1 calc PR B 5
C6 C 0.3948(6) 0.3125(7) 0.4260(8) 0.070(4) Uani 0.50 1 d P A 2
H6A H 0.4065 0.2765 0.4395 0.106 Uiso 0.50 1 calc PR A 2
H6B H 0.3542 0.3217 0.4366 0.106 Uiso 0.50 1 calc PR A 2
H6C H 0.4283 0.3366 0.4476 0.106 Uiso 0.50 1 calc PR A 2
C7 C 0.4700(4) 0.4071(4) 0.3774(5) 0.054(2) Uani 0.50 1 d P A 2
H7 H 0.4886 0.3944 0.4211 0.064 Uiso 0.50 1 calc PR A 2
C8 C 0.5184(14) 0.4401(6) 0.3616(15) 0.048(5) Uani 0.50 1 d P A 2
H8A H 0.5039 0.4525 0.3182 0.072 Uiso 0.50 1 calc PR A 2
H8B H 0.5579 0.4200 0.3657 0.072 Uiso 0.50 1 calc PR A 2
H8C H 0.5262 0.4702 0.3903 0.072 Uiso 0.50 1 calc PR A 2
C9 C 0.4096(6) 0.4385(5) 0.3820(6) 0.079(4) Uani 0.50 1 d P A 2
H9A H 0.4216 0.4670 0.4126 0.119 Uiso 0.50 1 calc PR A 2
H9B H 0.3792 0.4151 0.3956 0.119 Uiso 0.50 1 calc PR A 2
H9C H 0.3898 0.4533 0.3406 0.119 Uiso 0.50 1 calc PR A 2
C10 C 0.6323(2) 0.43270(15) 0.24512(18) 0.0382(9) Uani 1 1 d . . .
H10 H 0.6058 0.4430 0.2753 0.046 Uiso 1 1 calc R . .
C11 C 0.6506(3) 0.48394(19) 0.2168(3) 0.0671(15) Uani 1 1 d . . .
H11A H 0.6702 0.4759 0.1816 0.101 Uiso 1 1 calc R . .
H11B H 0.6811 0.5034 0.2491 0.101 Uiso 1 1 calc R . .
H11C H 0.6122 0.5053 0.2017 0.101 Uiso 1 1 calc R . .
C12 C 0.5891(2) 0.39972(18) 0.1944(2) 0.0483(11) Uani 1 1 d . . .
H12A H 0.5502 0.4195 0.1761 0.072 Uiso 1 1 calc R . .
H12B H 0.5777 0.3672 0.2131 0.072 Uiso 1 1 calc R . .
H12C H 0.6117 0.3912 0.1615 0.072 Uiso 1 1 calc R . .
C13 C 0.74744(18) 0.37337(15) 0.23392(17) 0.0354(8) Uani 1 1 d . . .
H13 H 0.7157 0.3657 0.1937 0.042 Uiso 1 1 calc R . .
C14 C 0.78551(18) 0.32284(17) 0.25136(19) 0.0404(9) Uani 1 1 d . . .
H14A H 0.8049 0.3125 0.2167 0.061 Uiso 1 1 calc R . .
H14B H 0.7569 0.2949 0.2591 0.061 Uiso 1 1 calc R . .
H14C H 0.8192 0.3286 0.2895 0.061 Uiso 1 1 calc R . .
C15 C 0.7915(2) 0.41634(19) 0.2179(2) 0.0508(11) Uani 1 1 d . . .
H15A H 0.8266 0.4229 0.2546 0.076 Uiso 1 1 calc R . .
H15B H 0.7670 0.4487 0.2065 0.076 Uiso 1 1 calc R . .
H15C H 0.8090 0.4048 0.1825 0.076 Uiso 1 1 calc R . .
C16 C 0.75025(19) 0.44033(15) 0.34550(17) 0.0380(9) Uani 1 1 d . . .
H16 H 0.7657 0.4675 0.3194 0.046 Uiso 1 1 calc R . .
C17 C 0.8089(2) 0.41316(19) 0.38613(19) 0.0482(11) Uani 1 1 d . . .
H17A H 0.8338 0.4386 0.4156 0.072 Uiso 1 1 calc R . .
H17B H 0.8355 0.3991 0.3590 0.072 Uiso 1 1 calc R . .
H17C H 0.7951 0.3845 0.4098 0.072 Uiso 1 1 calc R . .
C18 C 0.7115(2) 0.46842(17) 0.3864(2) 0.0487(11) Uani 1 1 d . . .
H18A H 0.6952 0.4426 0.4121 0.073 Uiso 1 1 calc R . .
H18B H 0.6755 0.4870 0.3594 0.073 Uiso 1 1 calc R . .
H18C H 0.7389 0.4936 0.4140 0.073 Uiso 1 1 calc R . .
C19 C 0.60710(18) 0.21526(16) 0.12523(17) 0.0377(9) Uani 1 1 d . . .
H19 H 0.5974 0.1896 0.0897 0.045 Uiso 1 1 calc R . .
C20 C 0.6766(2) 0.2330(2) 0.1325(2) 0.0659(15) Uani 1 1 d . . .
H20A H 0.6827 0.2458 0.0920 0.099 Uiso 1 1 calc R . .
H20B H 0.7054 0.2034 0.1466 0.099 Uiso 1 1 calc R . .
H20C H 0.6862 0.2613 0.1637 0.099 Uiso 1 1 calc R . .
C21 C 0.5618(2) 0.26146(18) 0.1070(2) 0.0540(12) Uani 1 1 d . . .
H21A H 0.5688 0.2868 0.1416 0.081 Uiso 1 1 calc R . .
H21B H 0.5175 0.2489 0.0984 0.081 Uiso 1 1 calc R . .
H21C H 0.5698 0.2783 0.0692 0.081 Uiso 1 1 calc R . .
C22 C 0.51452(16) 0.15226(15) 0.17596(16) 0.0317(8) Uani 1 1 d . . .
H22 H 0.5152 0.1221 0.2055 0.038 Uiso 1 1 calc R . .
C23 C 0.49635(18) 0.12904(16) 0.10948(17) 0.0361(8) Uani 1 1 d . . .
H23A H 0.4552 0.1110 0.1035 0.054 Uiso 1 1 calc R . .
H23B H 0.5292 0.1040 0.1040 0.054 Uiso 1 1 calc R . .
H23C H 0.4930 0.1573 0.0784 0.054 Uiso 1 1 calc R . .
C24 C 0.46155(19) 0.1889(2) 0.1861(2) 0.0533(12) Uani 1 1 d . . .
H24A H 0.4563 0.2177 0.1556 0.080 Uiso 1 1 calc R . .
H24B H 0.4730 0.2032 0.2289 0.080 Uiso 1 1 calc R . .
H24C H 0.4214 0.1693 0.1804 0.080 Uiso 1 1 calc R . .
C25 C 0.65214(18) 0.12434(15) 0.20495(17) 0.0355(8) Uani 1 1 d . . .
H25 H 0.6950 0.1384 0.2263 0.043 Uiso 1 1 calc R . .
C26 C 0.6355(2) 0.08326(15) 0.2496(2) 0.0467(10) Uani 1 1 d . . .
H26A H 0.5972 0.0641 0.2282 0.070 Uiso 1 1 calc R . .
H26B H 0.6275 0.1007 0.2870 0.070 Uiso 1 1 calc R . .
H26C H 0.6712 0.0587 0.2621 0.070 Uiso 1 1 calc R . .
C27 C 0.6613(2) 0.0973(2) 0.1444(2) 0.0563(12) Uani 1 1 d . . .
H27A H 0.6960 0.0716 0.1551 0.084 Uiso 1 1 calc R . .
H27B H 0.6720 0.1236 0.1158 0.084 Uiso 1 1 calc R . .
H27C H 0.6217 0.0794 0.1237 0.084 Uiso 1 1 calc R . .
C28 C 0.49173(17) 0.09899(14) 0.37057(18) 0.0338(8) Uani 1 1 d . . .
H28 H 0.5156 0.0889 0.3381 0.041 Uiso 1 1 calc R . .
C29 C 0.4640(2) 0.04773(17) 0.3898(2) 0.0483(11) Uani 1 1 d . . .
H29A H 0.4368 0.0555 0.4191 0.072 Uiso 1 1 calc R . .
H29B H 0.4990 0.0245 0.4104 0.072 Uiso 1 1 calc R . .
H29C H 0.4385 0.0304 0.3523 0.072 Uiso 1 1 calc R . .
C30 C 0.4388(2) 0.13567(18) 0.3373(2) 0.0523(12) Uani 1 1 d . . .
H30A H 0.4157 0.1195 0.2979 0.078 Uiso 1 1 calc R . .
H30B H 0.4576 0.1690 0.3281 0.078 Uiso 1 1 calc R . .
H30C H 0.4092 0.1421 0.3645 0.078 Uiso 1 1 calc R . .
C31 C 0.51708(18) 0.14484(15) 0.50353(18) 0.0349(8) Uani 1 1 d . . .
H31 H 0.5504 0.1655 0.5333 0.042 Uiso 1 1 calc R . .
C32 C 0.5033(2) 0.09695(18) 0.5412(2) 0.0498(11) Uani 1 1 d . . .
H32A H 0.4916 0.1088 0.5797 0.075 Uiso 1 1 calc R . .
H32B H 0.5416 0.0749 0.5522 0.075 Uiso 1 1 calc R . .
H32C H 0.4680 0.0767 0.5156 0.075 Uiso 1 1 calc R . .
C33 C 0.4584(2) 0.1804(2) 0.4875(2) 0.0548(12) Uani 1 1 d . . .
H33A H 0.4215 0.1602 0.4647 0.082 Uiso 1 1 calc R . .
H33B H 0.4666 0.2095 0.4611 0.082 Uiso 1 1 calc R . .
H33C H 0.4495 0.1944 0.5264 0.082 Uiso 1 1 calc R . .
C34 C 0.61134(17) 0.07973(14) 0.46349(18) 0.0348(8) Uani 1 1 d . . .
H34 H 0.5888 0.0496 0.4782 0.042 Uiso 1 1 calc R . .
C35 C 0.66238(19) 0.09942(17) 0.5199(2) 0.0436(10) Uani 1 1 d . . .
H35A H 0.6951 0.0723 0.5329 0.065 Uiso 1 1 calc R . .
H35B H 0.6424 0.1073 0.5550 0.065 Uiso 1 1 calc R . .
H35C H 0.6823 0.1313 0.5080 0.065 Uiso 1 1 calc R . .
C36 C 0.6424(2) 0.05928(16) 0.4117(2) 0.0429(9) Uani 1 1 d . . .
H36A H 0.6640 0.0882 0.3955 0.064 Uiso 1 1 calc R . .
H36B H 0.6095 0.0445 0.3774 0.064 Uiso 1 1 calc R . .
H36C H 0.6737 0.0320 0.4291 0.064 Uiso 1 1 calc R . .
C37 C 0.74675(18) 0.33840(17) 0.58875(17) 0.0380(9) Uani 1 1 d . . .
H37 H 0.7683 0.3055 0.5797 0.046 Uiso 1 1 calc R . .
C38 C 0.7655(2) 0.3451(2) 0.6610(2) 0.0619(14) Uani 1 1 d . . .
H38A H 0.8121 0.3443 0.6755 0.093 Uiso 1 1 calc R . .
H38B H 0.7469 0.3165 0.6809 0.093 Uiso 1 1 calc R . .
H38C H 0.7493 0.3788 0.6725 0.093 Uiso 1 1 calc R . .
C39 C 0.77548(19) 0.38231(18) 0.5567(2) 0.0460(10) Uani 1 1 d . . .
H39A H 0.7634 0.4163 0.5715 0.069 Uiso 1 1 calc R . .
H39B H 0.7594 0.3798 0.5110 0.069 Uiso 1 1 calc R . .
H39C H 0.8221 0.3791 0.5672 0.069 Uiso 1 1 calc R . .
C40 C 0.6145(2) 0.38926(15) 0.55872(19) 0.0393(9) Uani 1 1 d . . .
H40 H 0.5685 0.3790 0.5443 0.047 Uiso 1 1 calc R . .
C41 C 0.6246(2) 0.43255(16) 0.5143(2) 0.0469(10) Uani 1 1 d . . .
H41A H 0.5911 0.4591 0.5113 0.070 Uiso 1 1 calc R . .
H41B H 0.6229 0.4177 0.4725 0.070 Uiso 1 1 calc R . .
H41C H 0.6665 0.4488 0.5304 0.070 Uiso 1 1 calc R . .
C42 C 0.6212(3) 0.4116(2) 0.6252(2) 0.0692(16) Uani 1 1 d . . .
H42A H 0.6642 0.4262 0.6401 0.104 Uiso 1 1 calc R . .
H42B H 0.6145 0.3835 0.6536 0.104 Uiso 1 1 calc R . .
H42C H 0.5893 0.4392 0.6243 0.104 Uiso 1 1 calc R . .
C43 C 0.63390(18) 0.28387(15) 0.60936(17) 0.0341(8) Uani 1 1 d . . .
H43 H 0.6446 0.3009 0.6518 0.041 Uiso 1 1 calc R . .
C44 C 0.6694(2) 0.23135(16) 0.61530(19) 0.0408(9) Uani 1 1 d . . .
H44A H 0.6556 0.2094 0.6465 0.061 Uiso 1 1 calc R . .
H44B H 0.7155 0.2376 0.6287 0.061 Uiso 1 1 calc R . .
H44C H 0.6599 0.2135 0.5744 0.061 Uiso 1 1 calc R . .
C45 C 0.56138(19) 0.27561(17) 0.5918(2) 0.0425(9) Uani 1 1 d . . .
H45A H 0.5486 0.2622 0.5486 0.064 Uiso 1 1 calc R . .
H45B H 0.5398 0.3091 0.5947 0.064 Uiso 1 1 calc R . .
H45C H 0.5494 0.2503 0.6208 0.064 Uiso 1 1 calc R . .
C46 C 0.82386(16) 0.15974(13) 0.49113(16) 0.0284(7) Uani 1 1 d . . .
H46 H 0.7932 0.1301 0.4784 0.034 Uiso 1 1 calc R . .
C47 C 0.88969(18) 0.13383(17) 0.5120(2) 0.0432(10) Uani 1 1 d . . .
H47A H 0.9216 0.1605 0.5298 0.065 Uiso 1 1 calc R . .
H47B H 0.9013 0.1173 0.4756 0.065 Uiso 1 1 calc R . .
H47C H 0.8883 0.1071 0.5440 0.065 Uiso 1 1 calc R . .
C48 C 0.80440(19) 0.18540(16) 0.54686(17) 0.0374(8) Uani 1 1 d . . .
H48A H 0.7999 0.1584 0.5776 0.056 Uiso 1 1 calc R . .
H48B H 0.7635 0.2036 0.5322 0.056 Uiso 1 1 calc R . .
H48C H 0.8372 0.2107 0.5667 0.056 Uiso 1 1 calc R . .
C49 C 0.87270(16) 0.25580(14) 0.43177(17) 0.0302(7) Uani 1 1 d . . .
H49 H 0.8611 0.2778 0.3928 0.036 Uiso 1 1 calc R . .
C50 C 0.94232(17) 0.23831(17) 0.4366(2) 0.0441(10) Uani 1 1 d . . .
H50A H 0.9697 0.2693 0.4385 0.066 Uiso 1 1 calc R . .
H50B H 0.9446 0.2173 0.3996 0.066 Uiso 1 1 calc R . .
H50C H 0.9569 0.2172 0.4748 0.066 Uiso 1 1 calc R . .
C51 C 0.86881(19) 0.29228(16) 0.48587(19) 0.0398(9) Uani 1 1 d . . .
H51A H 0.8862 0.2745 0.5260 0.060 Uiso 1 1 calc R . .
H51B H 0.8241 0.3017 0.4833 0.060 Uiso 1 1 calc R . .
H51C H 0.8936 0.3241 0.4832 0.060 Uiso 1 1 calc R . .
C52 C 0.83548(16) 0.15935(15) 0.36114(17) 0.0323(8) Uani 1 1 d . . .
H52 H 0.8806 0.1480 0.3785 0.039 Uiso 1 1 calc R . .
C53 C 0.8340(2) 0.18825(17) 0.29946(18) 0.0424(9) Uani 1 1 d . . .
H53A H 0.8504 0.1651 0.2709 0.064 Uiso 1 1 calc R . .
H53B H 0.8608 0.2197 0.3081 0.064 Uiso 1 1 calc R . .
H53C H 0.7900 0.1984 0.2799 0.064 Uiso 1 1 calc R . .
C54 C 0.7946(2) 0.10964(15) 0.34955(19) 0.0410(9) Uani 1 1 d . . .
H54A H 0.7493 0.1194 0.3375 0.062 Uiso 1 1 calc R . .
H54B H 0.8024 0.0885 0.3881 0.062 Uiso 1 1 calc R . .
H54C H 0.8057 0.0892 0.3156 0.062 Uiso 1 1 calc R . .
C61 C 0.09831(17) 0.34954(14) 0.35466(17) 0.0315(7) Uani 1 1 d . . .
H61 H 0.0990 0.3068 0.3665 0.038 Uiso 1 1 calc R . .
C62 C 0.2102(2) 0.33381(18) 0.3061(3) 0.0570(12) Uani 1 1 d . . .
H62A H 0.2434 0.3282 0.3446 0.085 Uiso 1 1 calc R . .
H62B H 0.2293 0.3493 0.2736 0.085 Uiso 1 1 calc R . .
H62C H 0.1904 0.3001 0.2911 0.085 Uiso 1 1 calc R . .
C63 C 0.0571(2) 0.32306(16) 0.2234(2) 0.0427(9) Uani 1 1 d . . .
H63A H 0.0824 0.2912 0.2362 0.064 Uiso 1 1 calc R . .
H63B H 0.0656 0.3364 0.1840 0.064 Uiso 1 1 calc R . .
H63C H 0.0116 0.3149 0.2171 0.064 Uiso 1 1 calc R . .
C64 C -0.03829(18) 0.34522(17) 0.32181(19) 0.0398(9) Uani 1 1 d . . .
H64A H -0.0281 0.3077 0.3238 0.060 Uiso 1 1 calc R . .
H64B H -0.0672 0.3533 0.2812 0.060 Uiso 1 1 calc R . .
H64C H -0.0591 0.3543 0.3559 0.060 Uiso 1 1 calc R . .
C65 C 0.0543(2) 0.37121(19) 0.46638(19) 0.0503(11) Uani 1 1 d . . .
H65A H 0.0623 0.3334 0.4706 0.075 Uiso 1 1 calc R . .
H65B H 0.0088 0.3781 0.4628 0.075 Uiso 1 1 calc R . .
H65C H 0.0795 0.3893 0.5035 0.075 Uiso 1 1 calc R . .
C66 C 0.2090(2) 0.3643(2) 0.4572(2) 0.0597(13) Uani 1 1 d . . .
H66A H 0.1957 0.3699 0.4968 0.090 Uiso 1 1 calc R . .
H66B H 0.2500 0.3819 0.4593 0.090 Uiso 1 1 calc R . .
H66C H 0.2136 0.3267 0.4505 0.090 Uiso 1 1 calc R . .
C67 C 0.1379(3) 0.48884(19) 0.4597(2) 0.0550(12) Uani 1 1 d . . .
H67A H 0.1096 0.5195 0.4531 0.083 Uiso 1 1 calc R . .
H67B H 0.1822 0.5003 0.4644 0.083 Uiso 1 1 calc R . .
H67C H 0.1336 0.4703 0.4978 0.083 Uiso 1 1 calc R . .
C68 C -0.0200(2) 0.47689(17) 0.3730(2) 0.0449(10) Uani 1 1 d . . .
H68A H -0.0609 0.4632 0.3488 0.067 Uiso 1 1 calc R . .
H68B H -0.0159 0.5139 0.3625 0.067 Uiso 1 1 calc R . .
H68C H -0.0183 0.4736 0.4181 0.067 Uiso 1 1 calc R . .
C69 C -0.01788(18) 0.44627(17) 0.21906(18) 0.0396(9) Uani 1 1 d . . .
H69A H -0.0561 0.4252 0.2186 0.059 Uiso 1 1 calc R . .
H69B H -0.0046 0.4413 0.1794 0.059 Uiso 1 1 calc R . .
H69C H -0.0275 0.4834 0.2240 0.059 Uiso 1 1 calc R . .
C70 C 0.1430(2) 0.43776(17) 0.20783(19) 0.0413(9) Uani 1 1 d . . .
H70A H 0.1763 0.4130 0.2025 0.062 Uiso 1 1 calc R . .
H70B H 0.1601 0.4736 0.2105 0.062 Uiso 1 1 calc R . .
H70C H 0.1064 0.4351 0.1717 0.062 Uiso 1 1 calc R . .
C71 C 0.0958(2) 0.53383(14) 0.3031(2) 0.0403(9) Uani 1 1 d . . .
H71A H 0.1270 0.5405 0.2776 0.060 Uiso 1 1 calc R . .
H71B H 0.1069 0.5546 0.3419 0.060 Uiso 1 1 calc R . .
H71C H 0.0531 0.5438 0.2791 0.060 Uiso 1 1 calc R . .
C81 C 0.4483(2) 0.4966(2) 0.1114(4) 0.086(2) Uani 1 1 d . B .
H81A H 0.4880 0.5083 0.1398 0.129 Uiso 1 1 calc R . .
H81B H 0.4570 0.4861 0.0710 0.129 Uiso 1 1 calc R . .
H81C H 0.4310 0.4666 0.1302 0.129 Uiso 1 1 calc R . .
C82 C 0.3214(2) 0.50510(17) -0.0203(2) 0.0450(10) Uani 1 1 d . . .
H82A H 0.3012 0.4740 -0.0071 0.067 Uiso 1 1 calc R . .
H82B H 0.3627 0.4953 -0.0289 0.067 Uiso 1 1 calc R . .
H82C H 0.2937 0.5197 -0.0585 0.067 Uiso 1 1 calc R . .
C83 C 0.4437(2) 0.5983(2) 0.0013(3) 0.0609(13) Uani 1 1 d . . .
H83A H 0.4541 0.6350 -0.0052 0.091 Uiso 1 1 calc R . .
H83B H 0.4241 0.5822 -0.0394 0.091 Uiso 1 1 calc R . .
H83C H 0.4829 0.5792 0.0208 0.091 Uiso 1 1 calc R . .
C84 C 0.4915(2) 0.6209(2) 0.1645(3) 0.0679(16) Uani 1 1 d . . .
H84A H 0.5033 0.5988 0.2022 0.102 Uiso 1 1 calc R . .
H84B H 0.4947 0.6579 0.1769 0.102 Uiso 1 1 calc R . .
H84C H 0.5204 0.6138 0.1367 0.102 Uiso 1 1 calc R . .
C85 C 0.4075(6) 0.5352(4) 0.2287(5) 0.072(3) Uani 0.50 1 d P B 5
H85A H 0.4288 0.5608 0.2601 0.107 Uiso 0.50 1 calc PR B 5
H85B H 0.4384 0.5086 0.2225 0.107 Uiso 0.50 1 calc PR B 5
H85C H 0.3727 0.5183 0.2434 0.107 Uiso 0.50 1 calc PR B 5
C86 C 0.2948(4) 0.4767(3) 0.1333(4) 0.042(2) Uani 0.50 1 d P B 4
H86A H 0.3060 0.4743 0.1794 0.063 Uiso 0.50 1 calc PR B 4
H86B H 0.3180 0.4497 0.1156 0.063 Uiso 0.50 1 calc PR B 4
H86C H 0.2487 0.4713 0.1179 0.063 Uiso 0.50 1 calc PR B 4
C87 C 0.19424(18) 0.55928(17) 0.0293(2) 0.0475(11) Uani 1 1 d . B .
H87A H 0.1898 0.5521 -0.0156 0.071 Uiso 1 1 calc R . .
H87B H 0.1654 0.5879 0.0344 0.071 Uiso 1 1 calc R . .
H87C H 0.1833 0.5277 0.0502 0.071 Uiso 1 1 calc R . .
C88 C 0.2850(3) 0.63744(19) -0.0485(2) 0.0561(12) Uani 1 1 d . . .
H88A H 0.2442 0.6200 -0.0665 0.084 Uiso 1 1 calc R . .
H88B H 0.3152 0.6302 -0.0748 0.084 Uiso 1 1 calc R . .
H88C H 0.2781 0.6754 -0.0468 0.084 Uiso 1 1 calc R . .
C89 C 0.3902(2) 0.71057(15) 0.0663(2) 0.0424(9) Uani 1 1 d . B .
H89A H 0.3532 0.7341 0.0568 0.064 Uiso 1 1 calc R . .
H89B H 0.4104 0.7097 0.0304 0.064 Uiso 1 1 calc R . .
H89C H 0.4210 0.7234 0.1036 0.064 Uiso 1 1 calc R . .
C90 C 0.3652(3) 0.67463(19) 0.2134(2) 0.0550(12) Uani 1 1 d . . .
H90A H 0.3283 0.6731 0.2326 0.082 Uiso 1 1 calc R . .
H90B H 0.3705 0.7105 0.1994 0.082 Uiso 1 1 calc R . .
H90C H 0.4037 0.6640 0.2444 0.082 Uiso 1 1 calc R . .
C91 C 0.2453(3) 0.5807(2) 0.1897(2) 0.0680(16) Uani 1 1 d . . .
H91A H 0.2696 0.5652 0.2291 0.102 Uiso 1 1 calc R . .
H91B H 0.2098 0.5574 0.1708 0.102 Uiso 1 1 calc R . .
H91C H 0.2285 0.6149 0.1985 0.102 Uiso 1 1 calc R . .
C92 C 0.2364(2) 0.68623(18) 0.0829(3) 0.0572(13) Uani 1 1 d . . .
H92A H 0.2155 0.6838 0.1183 0.086 Uiso 1 1 calc R . .
H92B H 0.2043 0.6827 0.0432 0.086 Uiso 1 1 calc R . .
H92C H 0.2577 0.7203 0.0840 0.086 Uiso 1 1 calc R . .
C107 C 0.23772(19) 0.46616(19) 0.3555(2) 0.0503(11) Uani 1 1 d . . .
H10A H 0.2630 0.4477 0.3301 0.075 Uiso 1 1 calc R . .
H10B H 0.2605 0.4654 0.3999 0.075 Uiso 1 1 calc R . .
H10C H 0.2313 0.5026 0.3413 0.075 Uiso 1 1 calc R . .
C901 C -0.1735(12) 0.1819(10) 0.1010(11) 0.163(8) Uiso 0.50 1 d P . .
C902 C -0.1733(7) 0.2224(6) 0.0551(7) 0.093(4) Uiso 0.50 1 d P . .
C903 C -0.1491(7) 0.2563(6) 0.1026(7) 0.095(4) Uiso 0.50 1 d P . .
C904 C -0.0975(5) 0.2723(5) 0.1414(5) 0.058(2) Uiso 0.50 1 d P . .
C905 C -0.0949(7) 0.2444(6) 0.1589(7) 0.091(4) Uiso 0.50 1 d P . .
C906 C 0.6038(6) 0.5778(5) 0.3138(6) 0.071(3) Uiso 0.50 1 d P . .
C907 C 0.6186(9) 0.5947(8) 0.3442(9) 0.115(6) Uiso 0.50 1 d P . .
C908 C 0.4365(5) 0.4163(4) 0.5577(5) 0.060(3) Uiso 0.50 1 d P . .
C909 C 0.4512(10) 0.4079(8) 0.6084(10) 0.135(6) Uiso 0.50 1 d P . .
B62 B 0.15730(19) 0.37244(17) 0.3206(2) 0.0342(9) Uani 1 1 d . . .
B63 B 0.07632(19) 0.36643(16) 0.27674(19) 0.0289(8) Uani 1 1 d . . .
B64 B 0.02575(18) 0.37835(15) 0.32919(18) 0.0272(8) Uani 1 1 d . . .
B65 B 0.0745(2) 0.39207(17) 0.40496(19) 0.0340(9) Uani 1 1 d . . .
B66 B 0.1563(2) 0.38817(18) 0.4002(2) 0.0376(10) Uani 1 1 d . . .
B67 B 0.1185(2) 0.45024(17) 0.40022(19) 0.0329(9) Uani 1 1 d . . .
B68 B 0.03722(19) 0.44422(15) 0.35623(18) 0.0286(8) Uani 1 1 d . . .
B69 B 0.03883(18) 0.42814(15) 0.27684(18) 0.0262(7) Uani 1 1 d . . .
B70 B 0.12072(18) 0.42406(15) 0.27118(19) 0.0283(8) Uani 1 1 d . . .
B71 B 0.16983(19) 0.43797(17) 0.3476(2) 0.0336(9) Uani 1 1 d . . .
B72 B 0.09637(19) 0.47277(14) 0.32033(18) 0.0270(8) Uani 1 1 d . . .
B81 B 0.3976(2) 0.54326(17) 0.1004(2) 0.0392(10) Uani 1 1 d . . .
B82 B 0.33234(18) 0.54803(15) 0.03439(19) 0.0285(8) Uani 1 1 d . B .
B83 B 0.39464(19) 0.59569(16) 0.0465(2) 0.0326(9) Uani 1 1 d . B .
B84 B 0.4197(2) 0.60801(16) 0.1282(2) 0.0343(9) Uani 1 1 d . B .
B85 B 0.3786(5) 0.5650(4) 0.1624(5) 0.032(2) Uiso 0.50 1 d P B 5
B86 B 0.3141(6) 0.5339(4) 0.1120(5) 0.027(3) Uiso 0.50 1 d P B 4
B87 B 0.26617(18) 0.57580(16) 0.06015(19) 0.0290(8) Uani 1 1 d . . .
B88 B 0.31335(19) 0.61560(16) 0.02147(18) 0.0288(8) Uani 1 1 d . B .
B89 B 0.36726(19) 0.65260(15) 0.07959(19) 0.0278(8) Uani 1 1 d . . .
B90 B 0.3539(2) 0.63568(17) 0.1541(2) 0.0354(9) Uani 1 1 d . B .
B91 B 0.2911(2) 0.58800(19) 0.1421(2) 0.0390(10) Uani 1 1 d . B .
B92 B 0.28790(19) 0.64049(16) 0.0881(2) 0.0313(8) Uani 1 1 d . B .
C1A C 0.4675(4) 0.4222(3) 0.3137(3) 0.0350(16) Uani 0.50 1 d P A 1
H5 H 0.4826 0.4199 0.2737 0.042 Uiso 0.50 1 calc PR A 1
C2A C 0.5207(12) 0.4545(6) 0.3578(12) 0.037(3) Uani 0.50 1 d P A 1
H2A1 H 0.5314 0.4851 0.3350 0.056 Uiso 0.50 1 calc PR A 1
H2A2 H 0.5587 0.4326 0.3717 0.056 Uiso 0.50 1 calc PR A 1
H2A3 H 0.5055 0.4663 0.3945 0.056 Uiso 0.50 1 calc PR A 1
C3A C 0.4083(5) 0.4580(4) 0.2959(5) 0.058(3) Uani 0.50 1 d P A 1
H3A1 H 0.3918 0.4649 0.3334 0.087 Uiso 0.50 1 calc PR A 1
H3A2 H 0.3753 0.4407 0.2639 0.087 Uiso 0.50 1 calc PR A 1
H3A3 H 0.4203 0.4913 0.2792 0.087 Uiso 0.50 1 calc PR A 1
C4A C 0.3875(5) 0.3354(4) 0.2724(8) 0.088(5) Uani 0.50 1 d P A 1
H4A H 0.3516 0.3603 0.2725 0.105 Uiso 0.50 1 calc PR A 1
C5A C 0.4090(9) 0.3398(7) 0.2107(8) 0.139(10) Uani 0.50 1 d P A 1
H5A1 H 0.4395 0.3117 0.2084 0.209 Uiso 0.50 1 calc PR A 1
H5A2 H 0.4295 0.3739 0.2088 0.209 Uiso 0.50 1 calc PR A 1
H5A3 H 0.3718 0.3367 0.1752 0.209 Uiso 0.50 1 calc PR A 1
C6A C 0.3655(10) 0.2762(10) 0.2817(15) 0.121(13) Uani 0.50 1 d P A 1
H6A1 H 0.3301 0.2666 0.2465 0.182 Uiso 0.50 1 calc PR A 1
H6A2 H 0.3514 0.2736 0.3213 0.182 Uiso 0.50 1 calc PR A 1
H6A3 H 0.4014 0.2523 0.2831 0.182 Uiso 0.50 1 calc PR A 1
C7A C 0.4120(7) 0.3661(4) 0.4068(7) 0.085(4) Uani 0.50 1 d P A 1
H7A H 0.3679 0.3777 0.3857 0.102 Uiso 0.50 1 calc PR A 1
C8A C 0.4324(13) 0.4044(7) 0.4482(8) 0.163(10) Uani 0.50 1 d P A 1
H8A1 H 0.4046 0.4064 0.4780 0.244 Uiso 0.50 1 calc PR A 1
H8A2 H 0.4311 0.4379 0.4259 0.244 Uiso 0.50 1 calc PR A 1
H8A3 H 0.4763 0.3971 0.4712 0.244 Uiso 0.50 1 calc PR A 1
C9A C 0.4026(18) 0.2999(15) 0.419(3) 0.38(4) Uani 0.50 1 d P A 1
H9A1 H 0.4250 0.2908 0.4622 0.575 Uiso 0.50 1 calc PR A 1
H9A2 H 0.4205 0.2796 0.3892 0.575 Uiso 0.50 1 calc PR A 1
H9A3 H 0.3570 0.2919 0.4132 0.575 Uiso 0.50 1 calc PR A 1
H104 H 0.587(3) 0.177(2) 0.3239(12) 0.078(17) Uiso 1 1 d D . .
H109 H 0.699(2) 0.205(2) 0.3157(17) 0.10(2) Uiso 1 1 d D . .
H103 H 0.6813(15) 0.175(3) 0.425(3) 0.12(2) Uiso 1 1 d D . .
H106 H 0.741(2) 0.2959(11) 0.360(2) 0.063(14) Uiso 1 1 d D . .
H111 H 0.5625(16) 0.323(2) 0.4357(16) 0.077(17) Uiso 1 1 d D . .
H101 H 0.519(3) 0.2346(14) 0.376(3) 0.12(2) Uiso 1 1 d D . .
H107 H 0.671(3) 0.355(2) 0.4227(13) 0.081(17) Uiso 1 1 d D . .
H110 H 0.719(2) 0.2657(17) 0.467(2) 0.073(16) Uiso 1 1 d D . .
H102 H 0.612(2) 0.2346(10) 0.4760(19) 0.059(14) Uiso 1 1 d D . .
H105 H 0.645(3) 0.2947(12) 0.265(2) 0.094(19) Uiso 1 1 d D . .
H108 H 0.5838(14) 0.354(3) 0.329(3) 0.12(2) Uiso 1 1 d D . .
H112 H 0.510(4) 0.284(4) 0.285(3) 0.07(3) Uiso 0.50 1 d PD . .
H113 H 0.553(3) 0.256(3) 0.256(3) 0.04(2) Uiso 0.50 1 d PD . .
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_3
H108 Rh1 H101 162(3) .
H108 Rh1 H111 91(3) .
H101 Rh1 H111 92(3) .
H108 Rh1 P1 88.3(17) .
H101 Rh1 P1 109.4(17) .
H111 Rh1 P1 92.0(13) .
H108 Rh1 Rh5 85(2) .
H101 Rh1 Rh5 86.5(18) .
H111 Rh1 Rh5 40.9(13) .
P1 Rh1 Rh5 131.88(4) .
H108 Rh1 Rh2 39.0(17) .
H101 Rh1 Rh2 123.2(17) .
H111 Rh1 Rh2 88.5(14) .
P1 Rh1 Rh2 127.27(3) .
Rh5 Rh1 Rh2 59.202(9) .
H108 Rh1 Rh4 124.3(17) .
H101 Rh1 Rh4 38.5(17) .
H111 Rh1 Rh4 84.9(15) .
P1 Rh1 Rh4 147.26(3) .
Rh5 Rh1 Rh4 57.663(9) .
Rh2 Rh1 Rh4 85.297(11) .
H108 Rh1 Rh3 85.6(19) .
H101 Rh1 Rh3 78(2) .
H111 Rh1 Rh3 127.8(13) .
P1 Rh1 Rh3 139.75(4) .
Rh5 Rh1 Rh3 87.067(11) .
Rh2 Rh1 Rh3 58.231(10) .
Rh4 Rh1 Rh3 56.061(9) .
H108 Rh2 H106 174(2) .
H108 Rh2 H105 92(3) .
H106 Rh2 H105 90(2) .
H108 Rh2 H107 84(3) .
H106 Rh2 H107 94(2) .
H105 Rh2 H107 172(2) .
H108 Rh2 P2 93.9(17) .
H106 Rh2 P2 91.7(12) .
H105 Rh2 P2 84.8(14) .
H107 Rh2 P2 102.5(13) .
H108 Rh2 Rh6 132.2(17) .
H106 Rh2 Rh6 42.3(12) .
H105 Rh2 Rh6 88.3(16) .
H107 Rh2 Rh6 89.5(15) .
P2 Rh2 Rh6 133.56(3) .
H108 Rh2 Rh5 85.4(19) .
H106 Rh2 Rh5 89.6(13) .
H105 Rh2 Rh5 130.9(14) .
H107 Rh2 Rh5 41.9(13) .
P2 Rh2 Rh5 144.33(3) .
Rh6 Rh2 Rh5 60.181(9) .
H108 Rh2 Rh1 38.9(17) .
H106 Rh2 Rh1 135.7(12) .
H105 Rh2 Rh1 88.0(17) .
H107 Rh2 Rh1 84.0(15) .
P2 Rh2 Rh1 132.04(3) .
Rh6 Rh2 Rh1 93.377(11) .
Rh5 Rh2 Rh1 60.207(10) .
H108 Rh2 Rh3 92(2) .
H106 Rh2 Rh3 85.5(14) .
H105 Rh2 Rh3 39.2(14) .
H107 Rh2 Rh3 133.7(13) .
P2 Rh2 Rh3 123.81(3) .
Rh6 Rh2 Rh3 60.021(9) .
Rh5 Rh2 Rh3 91.825(11) .
Rh1 Rh2 Rh3 65.676(11) .
H104 Rh3 H105 163(2) .
H104 Rh3 H109 89(3) .
H105 Rh3 H109 94(3) .
H104 Rh3 P3 88.3(13) .
H105 Rh3 P3 108.2(14) .
H109 Rh3 P3 96.4(15) .
H104 Rh3 Rh6 85.3(15) .
H105 Rh3 Rh6 85.7(16) .
H109 Rh3 Rh6 40.6(15) .
P3 Rh3 Rh6 136.60(3) .
H104 Rh3 Rh4 39.2(13) .
H105 Rh3 Rh4 124.1(14) .
H109 Rh3 Rh4 85.1(17) .
P3 Rh3 Rh4 127.50(2) .
Rh6 Rh3 Rh4 58.412(9) .
H104 Rh3 Rh2 124.6(13) .
H105 Rh3 Rh2 39.0(14) .
H109 Rh3 Rh2 86.4(16) .
P3 Rh3 Rh2 147.09(3) .
Rh6 Rh3 Rh2 57.273(9) .
Rh4 Rh3 Rh2 85.392(10) .
H104 Rh3 Rh1 84.9(15) .
H105 Rh3 Rh1 79.9(17) .
H109 Rh3 Rh1 126.8(15) .
P3 Rh3 Rh1 135.97(3) .
Rh6 Rh3 Rh1 86.134(10) .
Rh4 Rh3 Rh1 58.354(9) .
Rh2 Rh3 Rh1 56.094(9) .
H102 Rh4 H104 172.9(19) .
H102 Rh4 H101 93(3) .
H104 Rh4 H101 88(3) .
H102 Rh4 H103 88(3) .
H104 Rh4 H103 90(3) .
H101 Rh4 H103 174(2) .
H102 Rh4 P4 95.0(12) .
H104 Rh4 P4 91.9(14) .
H101 Rh4 P4 91.5(17) .
H103 Rh4 P4 94.2(15) .
H102 Rh4 Rh6 86.5(13) .
H104 Rh4 Rh6 87.3(15) .
H101 Rh4 Rh6 130.0(17) .
H103 Rh4 Rh6 44.3(15) .
P4 Rh4 Rh6 138.42(2) .
H102 Rh4 Rh5 40.0(12) .
H104 Rh4 Rh5 133.2(14) .
H101 Rh4 Rh5 88.6(18) .
H103 Rh4 Rh5 88.3(18) .
P4 Rh4 Rh5 134.88(3) .
Rh6 Rh4 Rh5 60.347(9) .
H102 Rh4 Rh3 133.9(12) .
H104 Rh4 Rh3 39.3(14) .
H101 Rh4 Rh3 86(2) .
H103 Rh4 Rh3 89.1(19) .
P4 Rh4 Rh3 131.12(3) .
Rh6 Rh4 Rh3 60.699(9) .
Rh5 Rh4 Rh3 93.911(10) .
H102 Rh4 Rh1 85.4(13) .
H104 Rh4 Rh1 91.2(15) .
H101 Rh4 Rh1 38.9(17) .
H103 Rh4 Rh1 135.5(15) .
P4 Rh4 Rh1 130.15(2) .
Rh6 Rh4 Rh1 91.422(10) .
Rh5 Rh4 Rh1 59.611(10) .
Rh3 Rh4 Rh1 65.585(11) .
H110 Rh5 H102 89(2) .
H110 Rh5 H111 173.4(18) .
H102 Rh5 H111 90(2) .
H110 Rh5 H107 92(2) .
H102 Rh5 H107 170.8(17) .
H111 Rh5 H107 88(2) .
H110 Rh5 P5 95.1(13) .
H102 Rh5 P5 95.1(12) .
H111 Rh5 P5 91.5(13) .
H107 Rh5 P5 94.0(13) .
H110 Rh5 Rh4 85.9(15) .
H102 Rh5 Rh4 39.7(12) .
H111 Rh5 Rh4 89.4(15) .
H107 Rh5 Rh4 131.2(13) .
P5 Rh5 Rh4 134.76(3) .
H110 Rh5 Rh6 39.2(13) .
H102 Rh5 Rh6 85.8(13) .
H111 Rh5 Rh6 134.2(13) .
H107 Rh5 Rh6 89.0(15) .
P5 Rh5 Rh6 134.31(3) .
Rh4 Rh5 Rh6 59.804(9) .
H110 Rh5 Rh2 85.3(15) .
H102 Rh5 Rh2 128.5(12) .
H111 Rh5 Rh2 90.0(14) .
H107 Rh5 Rh2 42.5(13) .
P5 Rh5 Rh2 136.38(3) .
Rh4 Rh5 Rh2 88.837(10) .
Rh6 Rh5 Rh2 59.084(9) .
H110 Rh5 Rh1 132.1(13) .
H102 Rh5 Rh1 87.9(13) .
H111 Rh5 Rh1 41.2(13) .
H107 Rh5 Rh1 84.7(15) .
P5 Rh5 Rh1 132.74(3) .
Rh4 Rh5 Rh1 62.726(10) .
Rh6 Rh5 Rh1 92.949(12) .
Rh2 Rh5 Rh1 60.591(10) .
H110 Rh6 H106 92(2) .
H110 Rh6 H109 173(2) .
H106 Rh6 H109 91(2) .
H110 Rh6 H103 88(3) .
H106 Rh6 H103 176(2) .
H109 Rh6 H103 89(3) .
H110 Rh6 P6 93.9(13) .
H106 Rh6 P6 93.8(11) .
H109 Rh6 P6 92.2(15) .
H103 Rh6 P6 90.0(15) .
H110 Rh6 Rh2 86.7(15) .
H106 Rh6 Rh2 41.8(11) .
H109 Rh6 Rh2 91.4(17) .
H103 Rh6 Rh2 134.4(15) .
P6 Rh6 Rh2 135.49(2) .
H110 Rh6 Rh4 85.9(15) .
H106 Rh6 Rh4 131.5(11) .
H109 Rh6 Rh4 87.4(17) .
H103 Rh6 Rh4 44.7(15) .
P6 Rh6 Rh4 134.67(2) .
Rh2 Rh6 Rh4 89.810(10) .
H110 Rh6 Rh5 39.2(13) .
H106 Rh6 Rh5 89.7(13) .
H109 Rh6 Rh5 134.6(15) .
H103 Rh6 Rh5 88.2(19) .
P6 Rh6 Rh5 133.06(2) .
Rh2 Rh6 Rh5 60.735(10) .
Rh4 Rh6 Rh5 59.849(9) .
H110 Rh6 Rh3 132.9(13) .
H106 Rh6 Rh3 87.3(14) .
H109 Rh6 Rh3 41.0(15) .
H103 Rh6 Rh3 89.6(19) .
P6 Rh6 Rh3 133.17(2) .
Rh2 Rh6 Rh3 62.706(9) .
Rh4 Rh6 Rh3 60.889(9) .
Rh5 Rh6 Rh3 93.726(11) .
C7 P1 C4A 130.5(5) .
C7 P1 C4 110.3(6) .
C4A P1 C4 59.9(7) .
C7 P1 C1A 46.4(4) .
C4A P1 C1A 101.9(5) .
C4 P1 C1A 133.4(4) .
C7 P1 C1 108.4(4) .
C4A P1 C1 47.8(6) .
C4 P1 C1 107.0(5) .
C1A P1 C1 63.3(4) .
C7 P1 C7A 57.8(5) .
C4A P1 C7A 102.1(7) .
C4 P1 C7A 53.5(6) .
C1A P1 C7A 96.6(4) .
C1 P1 C7A 131.0(5) .
C7 P1 Rh1 108.0(3) .
C4A P1 Rh1 121.1(4) .
C4 P1 Rh1 110.2(3) .
C1A P1 Rh1 115.5(2) .
C1 P1 Rh1 113.0(3) .
C7A P1 Rh1 116.0(4) .
C16 P2 C13 105.96(17) .
C16 P2 C10 105.32(19) .
C13 P2 C10 105.47(18) .
C16 P2 Rh2 112.81(12) .
C13 P2 Rh2 115.92(13) .
C10 P2 Rh2 110.56(13) .
C19 P3 C22 106.47(16) .
C19 P3 C25 104.37(18) .
C22 P3 C25 105.78(18) .
C19 P3 Rh3 114.72(14) .
C22 P3 Rh3 114.60(12) .
C25 P3 Rh3 110.03(12) .
C34 P4 C28 104.44(17) .
C34 P4 C31 103.29(17) .
C28 P4 C31 111.05(17) .
C34 P4 Rh4 111.40(12) .
C28 P4 Rh4 113.33(12) .
C31 P4 Rh4 112.56(12) .
C43 P5 C37 104.47(18) .
C43 P5 C40 103.22(17) .
C37 P5 C40 111.29(19) .
C43 P5 Rh5 112.31(13) .
C37 P5 Rh5 111.71(12) .
C40 P5 Rh5 113.21(13) .
C52 P6 C49 104.12(17) .
C52 P6 C46 103.60(16) .
C49 P6 C46 111.66(16) .
C52 P6 Rh6 115.28(11) .
C49 P6 Rh6 109.67(11) .
C46 P6 Rh6 112.17(11) .
C2 C1 C3 110.9(8) .
C2 C1 P1 118.4(5) .
C3 C1 P1 110.4(7) .
C5 C4 C6 115.9(14) .
C5 C4 P1 117.7(11) .
C6 C4 P1 111.1(9) .
B91 C05 B90 68.7(4) .
B91 C05 B86 60.7(5) .
B90 C05 B86 117.4(7) .
B91 C05 B84 118.5(5) .
B90 C05 B84 63.0(4) .
B86 C05 B84 113.0(6) .
B91 C05 B81 114.2(5) .
B90 C05 B81 112.3(5) .
B86 C05 B81 63.8(5) .
B84 C05 B81 58.4(3) .
B81 C06 B82 65.8(5) .
B81 C06 B85 57.6(5) .
B82 C06 B85 112.3(7) .
B81 C06 B87 115.8(6) .
B82 C06 B87 62.9(4) .
B85 C06 B87 112.6(7) .
B81 C06 B91 112.8(6) .
B82 C06 B91 111.5(6) .
B85 C06 B91 65.4(5) .
B87 C06 B91 58.4(4) .
C8 C7 C9 112.1(12) .
C8 C7 P1 114.3(13) .
C9 C7 P1 113.4(8) .
C12 C10 C11 110.3(4) .
C12 C10 P2 111.3(3) .
C11 C10 P2 115.9(3) .
C14 C13 C15 109.5(3) .
C14 C13 P2 114.1(3) .
C15 C13 P2 114.9(3) .
C17 C16 C18 111.1(3) .
C17 C16 P2 111.1(3) .
C18 C16 P2 111.1(3) .
C21 C19 C20 110.4(4) .
C21 C19 P3 112.9(3) .
C20 C19 P3 111.3(3) .
C24 C22 C23 109.7(3) .
C24 C22 P3 114.7(3) .
C23 C22 P3 113.5(2) .
C26 C25 C27 109.5(4) .
C26 C25 P3 110.8(3) .
C27 C25 P3 117.8(3) .
C30 C28 C29 111.0(3) .
C30 C28 P4 113.4(3) .
C29 C28 P4 114.6(3) .
C33 C31 C32 110.1(3) .
C33 C31 P4 112.7(3) .
C32 C31 P4 116.6(3) .
C36 C34 C35 110.6(3) .
C36 C34 P4 112.2(3) .
C35 C34 P4 110.9(3) .
C39 C37 C38 110.4(3) .
C39 C37 P5 112.7(3) .
C38 C37 P5 115.7(3) .
C41 C40 C42 109.8(4) .
C41 C40 P5 114.5(3) .
C42 C40 P5 115.2(3) .
C45 C43 C44 111.1(3) .
C45 C43 P5 111.9(3) .
C44 C43 P5 111.8(2) .
C48 C46 C47 110.6(3) .
C48 C46 P6 114.1(2) .
C47 C46 P6 115.5(3) .
C51 C49 C50 110.5(3) .
C51 C49 P6 113.2(3) .
C50 C49 P6 115.4(3) .
C53 C52 C54 111.0(3) .
C53 C52 P6 112.2(3) .
C54 C52 P6 111.9(3) .
B64 C61 B65 63.0(2) .
B64 C61 B63 62.8(2) .
B65 C61 B63 115.1(3) .
B64 C61 B62 115.3(3) .
B65 C61 B62 115.2(3) .
B63 C61 B62 63.0(2) .
B64 C61 B66 115.6(3) .
B65 C61 B66 63.1(3) .
B63 C61 B66 115.4(3) .
B62 C61 B66 62.9(3) .
C902 C901 C903 43.7(10) .
C903 C902 C901 89.3(15) .
C904 C903 C902 145.0(15) .
C904 C903 C905 31.9(7) .
C902 C903 C905 125.4(14) .
C904 C903 C901 120.0(13) .
C902 C903 C901 47.1(10) .
C905 C903 C901 88.5(12) .
C905 C904 C903 89.3(17) .
C904 C905 C903 58.8(14) .
C906 C907 C909 102(2) 3_666
C908 C909 C907 116.6(17) 3_666
C62 B62 C61 120.7(3) .
C62 B62 B70 125.3(4) .
C61 B62 B70 104.4(3) .
C62 B62 B71 126.1(3) .
C61 B62 B71 104.4(3) .
B70 B62 B71 60.9(2) .
C62 B62 B66 120.1(4) .
C61 B62 B66 58.6(2) .
B70 B62 B66 108.8(3) .
B71 B62 B66 60.0(2) .
C62 B62 B63 119.5(3) .
C61 B62 B63 58.5(2) .
B70 B62 B63 59.7(2) .
B71 B62 B63 108.3(3) .
B66 B62 B63 108.1(3) .
C63 B63 C61 121.2(3) .
C63 B63 B69 125.3(3) .
C61 B63 B69 104.1(3) .
C63 B63 B70 125.4(3) .
C61 B63 B70 104.3(3) .
B69 B63 B70 61.0(2) .
C63 B63 B64 119.8(3) .
C61 B63 B64 58.2(2) .
B69 B63 B64 60.0(2) .
B70 B63 B64 108.8(3) .
C63 B63 B62 120.5(3) .
C61 B63 B62 58.5(2) .
B69 B63 B62 108.1(3) .
B70 B63 B62 59.5(2) .
B64 B63 B62 107.8(3) .
C64 B64 C61 120.8(3) .
C64 B64 B69 125.2(3) .
C61 B64 B69 104.5(3) .
C64 B64 B63 119.2(3) .
C61 B64 B63 59.0(2) .
B69 B64 B63 59.7(2) .
C64 B64 B65 120.7(3) .
C61 B64 B65 58.7(2) .
B69 B64 B65 108.2(3) .
B63 B64 B65 108.4(3) .
C64 B64 B68 125.8(3) .
C61 B64 B68 104.6(3) .
B69 B64 B68 60.5(2) .
B63 B64 B68 108.5(3) .
B65 B64 B68 59.9(2) .
C65 B65 C61 120.7(3) .
C65 B65 B68 125.6(4) .
C61 B65 B68 104.6(3) .
C65 B65 B67 125.5(3) .
C61 B65 B67 104.5(3) .
B68 B65 B67 60.8(2) .
C65 B65 B64 120.1(3) .
C61 B65 B64 58.4(2) .
B68 B65 B64 60.1(2) .
B67 B65 B64 108.6(3) .
C65 B65 B66 119.5(3) .
C61 B65 B66 58.8(2) .
B68 B65 B66 108.7(3) .
B67 B65 B66 59.9(2) .
B64 B65 B66 108.2(3) .
C66 B66 C61 121.6(3) .
C66 B66 B67 125.4(4) .
C61 B66 B67 103.9(3) .
C66 B66 B71 125.5(3) .
C61 B66 B71 103.9(3) .
B67 B66 B71 60.5(2) .
C66 B66 B62 120.4(4) .
C61 B66 B62 58.5(2) .
B67 B66 B62 107.9(3) .
B71 B66 B62 59.5(2) .
C66 B66 B65 120.5(4) .
C61 B66 B65 58.2(2) .
B67 B66 B65 59.7(2) .
B71 B66 B65 107.9(3) .
B62 B66 B65 107.5(3) .
C67 B67 B65 120.5(3) .
C67 B67 B66 120.8(3) .
B65 B67 B66 60.4(2) .
C67 B67 B72 123.5(3) .
B65 B67 B72 107.3(3) .
B66 B67 B72 107.7(3) .
C67 B67 B71 122.8(3) .
B65 B67 B71 107.9(3) .
B66 B67 B71 59.8(2) .
B72 B67 B71 59.9(2) .
C67 B67 B68 121.6(4) .
B65 B67 B68 59.5(2) .
B66 B67 B68 108.2(3) .
B72 B67 B68 60.0(2) .
B71 B67 B68 108.0(3) .
C68 B68 B65 121.3(3) .
C68 B68 B64 120.9(3) .
B65 B68 B64 60.0(2) .
C68 B68 B69 122.0(3) .
B65 B68 B69 107.6(3) .
B64 B68 B69 59.6(2) .
C68 B68 B72 123.3(3) .
B65 B68 B72 107.3(3) .
B64 B68 B72 107.2(3) .
B69 B68 B72 59.8(2) .
C68 B68 B67 122.6(3) .
B65 B68 B67 59.6(2) .
B64 B68 B67 107.6(3) .
B69 B68 B67 107.7(3) .
B72 B68 B67 59.9(2) .
C69 B69 B63 121.2(3) .
C69 B69 B64 120.5(3) .
B63 B69 B64 60.3(2) .
C69 B69 B72 122.8(3) .
B63 B69 B72 107.9(3) .
B64 B69 B72 107.9(3) .
C69 B69 B68 120.9(3) .
B63 B69 B68 108.4(3) .
B64 B69 B68 59.9(2) .
B72 B69 B68 60.3(2) .
C69 B69 B70 122.8(3) .
B63 B69 B70 59.6(2) .
B64 B69 B70 107.8(3) .
B72 B69 B70 60.2(2) .
B68 B69 B70 108.5(3) .
C70 B70 B62 120.6(3) .
C70 B70 B63 120.9(3) .
B62 B70 B63 60.8(2) .
C70 B70 B71 122.0(3) .
B62 B70 B71 59.7(2) .
B63 B70 B71 108.2(3) .
C70 B70 B72 123.4(3) .
B62 B70 B72 107.5(3) .
B63 B70 B72 107.3(3) .
B71 B70 B72 59.8(2) .
C70 B70 B69 122.6(3) .
B62 B70 B69 107.9(3) .
B63 B70 B69 59.4(2) .
B71 B70 B69 107.6(3) .
B72 B70 B69 59.6(2) .
C107 B71 B62 121.6(3) .
C107 B71 B66 122.1(3) .
B62 B71 B66 60.5(3) .
C107 B71 B72 121.8(3) .
B62 B71 B72 107.6(3) .
B66 B71 B72 107.7(3) .
C107 B71 B70 121.1(3) .
B62 B71 B70 59.5(2) .
B66 B71 B70 108.1(3) .
B72 B71 B70 60.2(2) .
C107 B71 B67 122.2(3) .
B62 B71 B67 108.0(3) .
B66 B71 B67 59.7(3) .
B72 B71 B67 60.0(2) .
B70 B71 B67 108.2(3) .
C71 B72 B69 121.8(3) .
C71 B72 B71 121.2(3) .
B69 B72 B71 108.2(3) .
C71 B72 B67 121.8(3) .
B69 B72 B67 108.0(3) .
B71 B72 B67 60.1(2) .
C71 B72 B68 122.0(3) .
B69 B72 B68 60.0(2) .
B71 B72 B68 108.3(3) .
B67 B72 B68 60.1(2) .
C71 B72 B70 121.3(3) .
B69 B72 B70 60.2(2) .
B71 B72 B70 60.0(2) .
B67 B72 B70 108.1(3) .
B68 B72 B70 108.3(3) .
C81 B81 B85 115.4(6) .
C81 B81 C06 120.5(5) .
B85 B81 C06 64.0(6) .
C81 B81 B82 124.1(4) .
B85 B81 B82 110.9(5) .
C06 B81 B82 57.7(4) .
C81 B81 B83 125.6(4) .
B85 B81 B83 108.9(5) .
C06 B81 B83 106.3(5) .
B82 B81 B83 60.5(2) .
C81 B81 B84 121.3(3) .
B85 B81 B84 59.4(4) .
C06 B81 B84 108.3(5) .
B82 B81 B84 108.2(3) .
B83 B81 B84 59.7(2) .
C81 B81 C05 124.5(5) .
B85 B81 C05 9.6(5) .
C06 B81 C05 58.0(5) .
B82 B81 C05 101.6(4) .
B83 B81 C05 102.5(4) .
B84 B81 C05 58.9(3) .
C81 B81 B86 121.6(5) .
B85 B81 B86 59.6(5) .
C06 B81 B86 4.4(6) .
B82 B81 B86 61.1(4) .
B83 B81 B86 107.2(4) .
B84 B81 B86 105.0(4) .
C05 B81 B86 53.7(4) .
C82 B82 C06 121.0(5) .
C82 B82 B81 121.0(3) .
C06 B82 B81 56.5(4) .
C82 B82 B88 123.8(3) .
C06 B82 B88 108.0(4) .
B81 B82 B88 107.8(3) .
C82 B82 B83 123.6(3) .
C06 B82 B83 104.8(4) .
B81 B82 B83 59.9(2) .
B88 B82 B83 60.0(2) .
C82 B82 B87 121.0(3) .
C06 B82 B87 62.5(4) .
B81 B82 B87 108.1(3) .
B88 B82 B87 59.8(2) .
B83 B82 B87 108.0(3) .
C82 B82 B86 121.5(5) .
C06 B82 B86 6.6(6) .
B81 B82 B86 62.5(4) .
B88 B82 B86 104.1(4) .
B83 B82 B86 107.8(4) .
B87 B82 B86 56.1(4) .
C83 B83 B84 121.5(3) .
C83 B83 B81 120.8(4) .
B84 B83 B81 60.5(2) .
C83 B83 B89 122.8(3) .
B84 B83 B89 59.9(2) .
B81 B83 B89 108.0(3) .
C83 B83 B88 122.6(4) .
B84 B83 B88 107.9(3) .
B81 B83 B88 107.5(3) .
B89 B83 B88 60.0(2) .
C83 B83 B82 121.1(3) .
B84 B83 B82 108.3(3) .
B81 B83 B82 59.7(2) .
B89 B83 B82 107.9(3) .
B88 B83 B82 59.8(2) .
C84 B84 B85 117.3(5) .
C84 B84 B83 124.8(4) .
B85 B84 B83 105.2(4) .
C84 B84 B89 125.0(3) .
B85 B84 B89 110.9(5) .
B83 B84 B89 60.4(2) .
C84 B84 B90 120.5(4) .
B85 B84 B90 65.3(4) .
B83 B84 B90 108.1(3) .
B89 B84 B90 59.7(2) .
C84 B84 B81 120.7(3) .
B85 B84 B81 54.8(4) .
B83 B84 B81 59.8(2) .
B89 B84 B81 107.8(3) .
B90 B84 B81 107.8(3) .
C84 B84 C05 123.6(4) .
B85 B84 C05 12.3(4) .
B83 B84 C05 105.4(4) .
B89 B84 C05 100.0(4) .
B90 B84 C05 53.3(3) .
B81 B84 C05 62.7(4) .
B81 B85 C85 118.1(9) .
B81 B85 B84 65.8(5) .
C85 B85 B84 124.5(8) .
B81 B85 C06 58.4(5) .
C85 B85 C06 118.8(8) .
B84 B85 C06 109.0(7) .
B81 B85 B90 111.9(6) .
C85 B85 B90 125.2(8) .
B84 B85 B90 59.9(4) .
C06 B85 B90 105.1(7) .
B81 B85 B91 109.7(6) .
C85 B85 B91 120.0(8) .
B84 B85 B91 106.5(6) .
C06 B85 B91 60.9(5) .
B90 B85 B91 56.2(4) .
C86 B86 B91 121.3(8) .
C86 B86 C05 120.9(8) .
B91 B86 C05 55.9(5) .
C86 B86 B87 126.6(8) .
B91 B86 B87 63.5(5) .
C05 B86 B87 104.9(7) .
C86 B86 B82 124.0(8) .
B91 B86 B82 110.2(6) .
C05 B86 B82 104.8(7) .
B87 B86 B82 59.9(4) .
C86 B86 B81 118.0(7) .
B91 B86 B81 109.3(6) .
C05 B86 B81 62.5(5) .
B87 B86 B81 106.2(6) .
B82 B86 B81 56.4(4) .
C87 B87 B86 119.4(5) .
C87 B87 B91 120.7(3) .
B86 B87 B91 56.4(4) .
C87 B87 B88 123.6(3) .
B86 B87 B88 110.2(5) .
B91 B87 B88 107.8(3) .
C87 B87 B92 122.7(3) .
B86 B87 B92 106.2(5) .
B91 B87 B92 59.8(2) .
B88 B87 B92 60.1(2) .
C87 B87 C06 124.4(5) .
B86 B87 C06 9.6(6) .
B91 B87 C06 62.5(4) .
B88 B87 C06 101.8(4) .
B92 B87 C06 106.4(4) .
C87 B87 B82 121.8(3) .
B86 B87 B82 64.0(5) .
B91 B87 B82 108.0(3) .
B88 B87 B82 59.7(2) .
B92 B87 B82 108.0(3) .
C06 B87 B82 54.6(4) .
C88 B88 B82 120.6(3) .
C88 B88 B87 121.0(3) .
B82 B88 B87 60.5(2) .
C88 B88 B89 122.4(3) .
B82 B88 B89 108.2(3) .
B87 B88 B89 108.2(3) .
C88 B88 B83 121.4(3) .
B82 B88 B83 60.1(2) .
B87 B88 B83 108.6(3) .
B89 B88 B83 60.0(2) .
C88 B88 B92 122.0(3) .
B82 B88 B92 108.5(3) .
B87 B88 B92 60.0(2) .
B89 B88 B92 60.1(2) .
B83 B88 B92 108.4(3) .
C89 B89 B90 120.8(3) .
C89 B89 B84 121.3(3) .
B90 B89 B84 60.5(3) .
C89 B89 B88 122.4(3) .
B90 B89 B88 108.0(3) .
B84 B89 B88 107.9(3) .
C89 B89 B83 122.2(3) .
B90 B89 B83 108.3(3) .
B84 B89 B83 59.8(2) .
B88 B89 B83 60.0(2) .
C89 B89 B92 121.2(3) .
B90 B89 B92 60.0(2) .
B84 B89 B92 108.6(3) .
B88 B89 B92 60.1(2) .
B83 B89 B92 108.3(3) .
C90 B90 C05 121.2(4) .
C90 B90 B89 124.3(3) .
C05 B90 B89 108.1(4) .
C90 B90 B92 123.7(4) .
C05 B90 B92 103.2(4) .
B89 B90 B92 60.4(2) .
C90 B90 B84 121.0(4) .
C05 B90 B84 63.7(4) .
B89 B90 B84 59.8(2) .
B92 B90 B84 108.3(3) .
C90 B90 B91 120.5(3) .
C05 B90 B91 54.7(4) .
B89 B90 B91 107.9(3) .
B92 B90 B91 59.6(2) .
B84 B90 B91 108.1(3) .
C90 B90 B85 122.0(5) .
C05 B90 B85 9.3(5) .
B89 B90 B85 102.7(4) .
B92 B90 B85 107.5(4) .
B84 B90 B85 54.8(4) .
B91 B90 B85 63.2(4) .
C05 B91 C91 120.1(5) .
C05 B91 B86 63.4(5) .
C91 B91 B86 116.6(5) .
C05 B91 B87 107.9(4) .
C91 B91 B87 123.2(4) .
B86 B91 B87 60.1(4) .
C05 B91 B92 104.9(4) .
C91 B91 B92 125.7(4) .
B86 B91 B92 109.6(5) .
B87 B91 B92 60.4(2) .
C05 B91 B90 56.6(4) .
C91 B91 B90 122.7(3) .
B86 B91 B90 109.9(5) .
B87 B91 B90 108.0(3) .
B92 B91 B90 59.9(2) .
C05 B91 C06 59.1(5) .
C91 B91 C06 123.8(5) .
B86 B91 C06 7.5(6) .
B87 B91 C06 59.0(4) .
B92 B91 C06 104.1(4) .
B90 B91 C06 102.8(4) .
C05 B91 B85 5.4(5) .
C91 B91 B85 122.1(5) .
B86 B91 B85 58.0(5) .
B87 B91 B85 103.4(4) .
B92 B91 B85 105.6(4) .
B90 B91 B85 60.5(4) .
C06 B91 B85 53.7(5) .
C92 B92 B91 121.3(4) .
C92 B92 B90 121.3(3) .
B91 B92 B90 60.5(2) .
C92 B92 B87 121.9(3) .
B91 B92 B87 59.8(2) .
B90 B92 B87 108.1(3) .
C92 B92 B88 122.7(4) .
B91 B92 B88 107.5(3) .
B90 B92 B88 107.4(3) .
B87 B92 B88 59.8(2) .
C92 B92 B89 122.1(3) .
B91 B92 B89 107.9(3) .
B90 B92 B89 59.5(2) .
B87 B92 B89 107.8(3) .
B88 B92 B89 59.8(2) .
C3A C1A C2A 106.8(9) .
C3A C1A P1 117.2(6) .
C2A C1A P1 120.4(8) .
C5A C4A C6A 109.9(15) .
C5A C4A P1 106.6(9) .
C6A C4A P1 109.8(12) .
C8A C7A C9A 130(2) .
C8A C7A P1 122.4(11) .
C9A C7A P1 91.9(13) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 H108 1.79(4) .
Rh1 H101 1.84(4) .
Rh1 H111 1.85(4) .
Rh1 P1 2.2359(11) .
Rh1 Rh5 2.7762(4) .
Rh1 Rh2 2.7868(4) .
Rh1 Rh4 2.8606(4) .
Rh1 Rh3 3.0597(5) .
Rh2 H108 1.79(4) .
Rh2 H106 1.81(3) .
Rh2 H105 1.83(4) .
Rh2 H107 1.86(4) .
Rh2 P2 2.2556(9) .
Rh2 Rh6 2.7024(3) .
Rh2 Rh5 2.7479(4) .
Rh2 Rh3 2.8547(4) .
Rh3 H104 1.80(4) .
Rh3 H105 1.84(4) .
Rh3 H109 1.85(4) .
Rh3 P3 2.2484(9) .
Rh3 Rh6 2.7826(3) .
Rh3 Rh4 2.7878(4) .
Rh4 H102 1.77(3) .
Rh4 H104 1.80(4) .
Rh4 H101 1.82(4) .
Rh4 H103 1.91(5) .
Rh4 P4 2.2612(9) .
Rh4 Rh6 2.7181(3) .
Rh4 Rh5 2.7193(3) .
Rh5 H110 1.76(3) .
Rh5 H102 1.78(3) .
Rh5 H111 1.84(4) .
Rh5 H107 1.84(4) .
Rh5 P5 2.2475(9) .
Rh5 Rh6 2.7329(3) .
Rh6 H110 1.76(3) .
Rh6 H106 1.83(3) .
Rh6 H109 1.83(4) .
Rh6 H103 1.90(5) .
Rh6 P6 2.2374(8) .
P1 C7 1.719(10) .
P1 C4A 1.740(10) .
P1 C4 1.790(9) .
P1 C1A 1.889(8) .
P1 C1 1.935(9) .
P1 C7A 2.062(10) .
P2 C16 1.853(4) .
P2 C13 1.858(4) .
P2 C10 1.860(4) .
P3 C19 1.841(4) .
P3 C22 1.858(3) .
P3 C25 1.862(4) .
P4 C34 1.849(4) .
P4 C28 1.855(4) .
P4 C31 1.856(4) .
P5 C43 1.844(4) .
P5 C37 1.849(4) .
P5 C40 1.853(4) .
P6 C52 1.843(4) .
P6 C49 1.852(3) .
P6 C46 1.854(3) .
C1 C2 1.553(13) .
C1 C3 1.563(12) .
C4 C5 1.49(3) .
C4 C6 1.63(2) .
C05 B91 1.569(10) .
C05 B90 1.605(10) .
C05 B86 1.693(14) .
C05 B84 1.796(9) .
C05 B81 1.864(10) .
C06 B81 1.616(11) .
C06 B82 1.639(11) .
C06 B85 1.704(14) .
C06 B87 1.784(11) .
C06 B91 1.846(11) .
C7 C8 1.44(2) .
C7 C9 1.547(13) .
C10 C12 1.523(6) .
C10 C11 1.535(6) .
C13 C14 1.527(6) .
C13 C15 1.540(5) .
C16 C17 1.531(6) .
C16 C18 1.533(6) .
C19 C21 1.522(6) .
C19 C20 1.535(6) .
C22 C24 1.529(6) .
C22 C23 1.532(5) .
C25 C26 1.527(6) .
C25 C27 1.544(6) .
C28 C30 1.521(6) .
C28 C29 1.534(5) .
C31 C33 1.527(6) .
C31 C32 1.538(5) .
C34 C36 1.530(5) .
C34 C35 1.534(6) .
C37 C39 1.523(6) .
C37 C38 1.545(5) .
C40 C41 1.517(6) .
C40 C42 1.533(6) .
C43 C45 1.532(5) .
C43 C44 1.532(5) .
C46 C48 1.522(5) .
C46 C47 1.533(5) .
C49 C51 1.520(5) .
C49 C50 1.542(5) .
C52 C53 1.528(5) .
C52 C54 1.530(5) .
C61 B64 1.698(5) .
C61 B65 1.703(6) .
C61 B63 1.712(5) .
C61 B62 1.713(6) .
C61 B66 1.715(5) .
C62 B62 1.590(6) .
C63 B63 1.590(5) .
C64 B64 1.592(5) .
C65 B65 1.592(6) .
C66 B66 1.598(6) .
C67 B67 1.605(6) .
C68 B68 1.596(5) .
C69 B69 1.607(5) .
C70 B70 1.603(5) .
C71 B72 1.601(5) .
C81 B81 1.595(6) .
C82 B82 1.596(5) .
C83 B83 1.603(6) .
C84 B84 1.599(6) .
C85 B85 1.625(14) .
C86 B86 1.614(13) .
C87 B87 1.595(5) .
C88 B88 1.607(6) .
C89 B89 1.605(5) .
C90 B90 1.604(6) .
C91 B91 1.598(6) .
C92 B92 1.594(6) .
C107 B71 1.600(5) .
C901 C902 1.44(3) .
C901 C903 1.97(3) .
C902 C903 1.358(19) .
C903 C904 1.297(18) .
C903 C905 1.52(2) .
C904 C905 0.802(16) .
C906 C907 0.793(19) .
C907 C909 2.01(3) 3_666
C908 C909 1.10(2) .
C909 C907 2.01(3) 3_666
B62 B70 1.767(6) .
B62 B71 1.771(6) .
B62 B66 1.788(7) .
B62 B63 1.790(6) .
B63 B69 1.768(6) .
B63 B70 1.771(6) .
B63 B64 1.777(6) .
B64 B69 1.773(5) .
B64 B65 1.777(6) .
B64 B68 1.778(6) .
B65 B68 1.774(6) .
B65 B67 1.775(6) .
B65 B66 1.788(6) .
B66 B67 1.778(6) .
B66 B71 1.780(6) .
B67 B72 1.793(6) .
B67 B71 1.794(6) .
B67 B68 1.797(6) .
B68 B69 1.789(5) .
B68 B72 1.794(5) .
B69 B72 1.785(5) .
B69 B70 1.796(5) .
B70 B71 1.792(6) .
B70 B72 1.796(5) .
B71 B72 1.790(6) .
B81 B85 1.600(12) .
B81 B82 1.768(6) .
B81 B83 1.772(6) .
B81 B84 1.785(6) .
B81 B86 1.884(13) .
B82 B88 1.777(6) .
B82 B83 1.783(6) .
B82 B87 1.791(5) .
B82 B86 1.860(13) .
B83 B84 1.770(6) .
B83 B89 1.780(6) .
B83 B88 1.781(6) .
B84 B85 1.685(11) .
B84 B89 1.771(6) .
B84 B90 1.785(7) .
B85 B90 1.875(12) .
B85 B91 1.923(12) .
B86 B91 1.651(13) .
B86 B87 1.717(12) .
B87 B91 1.773(6) .
B87 B88 1.779(6) .
B87 B92 1.783(6) .
B88 B89 1.779(6) .
B88 B92 1.784(6) .
B89 B90 1.769(6) .
B89 B92 1.786(6) .
B90 B92 1.778(6) .
B90 B91 1.790(6) .
B91 B92 1.774(6) .
C1A C3A 1.540(11) .
C1A C2A 1.55(3) .
C4A C5A 1.53(2) .
C4A C6A 1.61(3) .
C7A C8A 1.33(2) .
C7A C9A 1.73(4) .
