#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:34:13 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178657 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/68/4076819.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_4076819
loop_
_publ_author_name
'Rifat, Adem'
'Patmore, Nathan J.'
'Mahon, Mary F.'
'Weller, Andrew S.'
_publ_section_title
;
 Rhodium Phosphines Partnered with the Carborane Monoanions [CB11H6Y6]-(Y
 = H, Br). Synthesis and Evaluation as Alkene Hydrogenation Catalysts
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              2856
_journal_paper_doi               10.1021/om020077r
_journal_volume                  21
_journal_year                    2002
_chemical_formula_sum            'C76.78 H77.56 B22 Br12 Cl5.56 P4 Rh2'
_chemical_formula_weight         2723.85
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 113.284(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.9570(6)
_cell_length_b                   15.0290(4)
_cell_length_c                   27.8970(7)
_cell_measurement_temperature    150(2)
_cell_volume                     10381.6(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.1239
_diffrn_reflns_av_sigmaI/netI    0.0764
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            72519
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         3.56
_exptl_absorpt_coefficient_mu    5.181
_exptl_absorpt_correction_T_max  0.8601
_exptl_absorpt_correction_T_min  0.5104
_exptl_crystal_density_diffrn    1.743
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             5251
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.346
_refine_diff_density_min         -1.559
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     589
_refine_ls_number_reflns         9133
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1249
_refine_ls_R_factor_gt           0.0702
_refine_ls_shift/su_max          2.345
_refine_ls_shift/su_mean         0.039
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0226P)²+229.6937P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1246
_refine_ls_wR_factor_ref         0.1465
_reflns_number_gt                5763
_reflns_number_total             9133
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om020077r.cif
_cod_data_source_block           c:_compound_2
_cod_original_cell_volume        10381.6(4)
_cod_database_code               4076819
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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 0.33072(3) 0.27874(5) -0.00471(3) 0.03554(19) Uani 1 1 d . . .
Br7 Br 0.17546(5) 0.48303(7) 0.16205(4) 0.0584(3) Uani 1 1 d . . .
Br8 Br 0.32449(5) 0.50348(7) 0.25384(4) 0.0585(3) Uani 1 1 d . . .
Br9 Br 0.33952(6) 0.43653(8) 0.39294(4) 0.0741(4) Uani 1 1 d . . .
Br10 Br 0.19743(6) 0.38564(9) 0.38597(5) 0.0815(4) Uani 1 1 d . . .
Br11 Br 0.09600(6) 0.40760(9) 0.24355(5) 0.0768(4) Uani 1 1 d . . .
Br12 Br 0.21172(5) 0.57184(7) 0.29909(4) 0.0641(3) Uani 1 1 d . . .
Cl1 Cl 0.4309(9) 0.6101(14) 0.2085(11) 0.167(9) Uani 0.26 1 d P A 1
Cl2 Cl 0.4766(9) 0.7590(19) 0.1783(7) 0.165(9) Uani 0.26 1 d PU A 1
Cl3 Cl 0.4280(11) 0.669(2) 0.1457(11) 0.199(12) Uani 0.26 1 d PU A 1
Cl4 Cl 0.1334(5) 0.7066(11) -0.0279(5) 0.161(5) Uani 0.50 1 d P . .
Cl5 Cl 0.1197(8) 0.7133(13) 0.0281(7) 0.246(12) Uani 0.50 1 d P . .
Cl6 Cl 0.1403(5) 0.5467(6) -0.0110(4) 0.121(3) Uani 0.50 1 d P . .
Cl7 Cl 0.1136(4) 0.6186(11) 0.0528(4) 0.161(6) Uani 0.50 1 d P . .
P1 P 0.31520(10) 0.33414(16) 0.06290(9) 0.0417(6) Uani 1 1 d . . .
P2 P 0.41977(10) 0.25241(15) 0.04065(9) 0.0404(6) Uani 1 1 d . . .
C1 C 0.2441(4) 0.2431(6) 0.2661(4) 0.054(3) Uani 1 1 d . . .
H1 H 0.2505 0.1718 0.2584 0.065 Uiso 1 1 calc R . .
C2 C 0.2537(4) 0.2810(6) 0.0644(3) 0.039(2) Uani 1 1 d . . .
C3 C 0.2121(4) 0.3249(7) 0.0723(3) 0.045(2) Uani 1 1 d . . .
H3 H 0.2109 0.3881 0.0717 0.054 Uiso 1 1 calc R . .
C4 C 0.1715(4) 0.2768(7) 0.0812(3) 0.049(3) Uani 1 1 d . . .
H4 H 0.1412 0.3075 0.0824 0.058 Uiso 1 1 calc R . .
C5 C 0.1755(4) 0.1847(7) 0.0882(4) 0.054(3) Uani 1 1 d . . .
H5 H 0.1510 0.1536 0.0989 0.064 Uiso 1 1 calc R . .
C6 C 0.2162(4) 0.1388(7) 0.0790(4) 0.053(3) Uani 1 1 d . . .
H6 H 0.2193 0.0761 0.0831 0.064 Uiso 1 1 calc R . .
C7 C 0.2522(4) 0.1862(6) 0.0639(3) 0.044(2) Uani 1 1 d . . .
H7 H 0.2763 0.1543 0.0531 0.052 Uiso 1 1 calc R . .
C8 C 0.3617(4) 0.3206(8) 0.1315(3) 0.052(3) Uani 1 1 d . . .
C9 C 0.3994(5) 0.3892(9) 0.1542(5) 0.077(4) Uani 1 1 d . . .
H9 H 0.4011 0.4388 0.1338 0.093 Uiso 1 1 calc R . .
C10 C 0.4332(6) 0.3838(13) 0.2051(5) 0.110(6) Uani 1 1 d . . .
H10 H 0.4590 0.4296 0.2201 0.132 Uiso 1 1 calc R . .
C11 C 0.4309(6) 0.3154(16) 0.2344(5) 0.120(8) Uani 1 1 d . . .
H11 H 0.4541 0.3141 0.2703 0.145 Uiso 1 1 calc R . .
C12 C 0.3943(6) 0.2443(15) 0.2128(5) 0.126(8) Uani 1 1 d . . .
H12 H 0.3940 0.1946 0.2337 0.152 Uiso 1 1 calc R . .
C13 C 0.3588(4) 0.2480(11) 0.1608(4) 0.085(5) Uani 1 1 d . . .
H13 H 0.3333 0.2019 0.1457 0.102 Uiso 1 1 calc R . .
C14 C 0.3008(4) 0.4538(7) 0.0620(4) 0.052(3) Uani 1 1 d . . .
C15 C 0.3021(5) 0.5083(7) 0.0220(4) 0.066(3) Uani 1 1 d . . .
H15 H 0.3094 0.4831 -0.0057 0.079 Uiso 1 1 calc R . .
C16 C 0.2926(5) 0.6000(7) 0.0224(5) 0.082(4) Uani 1 1 d . . .
H16 H 0.2932 0.6373 -0.0048 0.099 Uiso 1 1 calc R . .
C17 C 0.2824(6) 0.6347(9) 0.0634(7) 0.113(7) Uani 1 1 d . . .
H17 H 0.2751 0.6965 0.0636 0.135 Uiso 1 1 calc R . .
C18 C 0.2825(5) 0.5830(10) 0.1038(6) 0.092(5) Uani 1 1 d . . .
H18 H 0.2769 0.6094 0.1321 0.110 Uiso 1 1 calc R . .
C19 C 0.2910(4) 0.4918(7) 0.1034(5) 0.068(3) Uani 1 1 d . . .
H19 H 0.2901 0.4555 0.1309 0.082 Uiso 1 1 calc R . .
C20 C 0.4595(4) 0.3523(6) 0.0691(4) 0.046(2) Uani 1 1 d . B .
C21 C 0.5063(6) 0.3544(8) 0.1094(5) 0.084(4) Uani 1 1 d . . .
H21 H 0.5221 0.3000 0.1256 0.101 Uiso 1 1 calc R B .
C22 C 0.5339(6) 0.4349(11) 0.1293(5) 0.096(5) Uani 1 1 d . B .
H22 H 0.5668 0.4347 0.1593 0.115 Uiso 1 1 calc R . .
C23 C 0.5134(7) 0.5094(10) 0.1059(6) 0.096(5) Uani 1 1 d . . .
H23 H 0.5318 0.5635 0.1196 0.115 Uiso 1 1 calc R B .
C24 C 0.4665(6) 0.5126(8) 0.0625(9) 0.137(8) Uani 1 1 d . B .
H24 H 0.4529 0.5672 0.0451 0.164 Uiso 1 1 calc R . .
C25 C 0.4398(6) 0.4340(8) 0.0451(8) 0.121(7) Uani 1 1 d . . .
H25 H 0.4065 0.4350 0.0155 0.145 Uiso 1 1 calc R B .
C26 C 0.4497(4) 0.2126(7) -0.0042(4) 0.048(2) Uani 1 1 d . B .
C27 C 0.4665(4) 0.2711(7) -0.0331(4) 0.058(3) Uani 1 1 d . . .
H27 H 0.4672 0.3332 -0.0265 0.069 Uiso 1 1 calc R B .
C28 C 0.4819(5) 0.2401(8) -0.0710(5) 0.076(4) Uani 1 1 d . B .
H28 H 0.4926 0.2817 -0.0907 0.092 Uiso 1 1 calc R . .
C29 C 0.4826(5) 0.1506(9) -0.0818(5) 0.075(4) Uani 1 1 d . . .
H29 H 0.4936 0.1301 -0.1083 0.090 Uiso 1 1 calc R B .
C30 C 0.4665(5) 0.0921(7) -0.0525(5) 0.067(3) Uani 1 1 d . B .
H30 H 0.4660 0.0301 -0.0593 0.081 Uiso 1 1 calc R . .
C31 C 0.4512(4) 0.1219(6) -0.0136(4) 0.052(3) Uani 1 1 d . . .
H31 H 0.4417 0.0802 0.0069 0.063 Uiso 1 1 calc R B .
C32 C 0.4457(16) 0.169(2) 0.0902(12) 0.0565(19) Uani 0.65 1 d P B 1
C33 C 0.4995(7) 0.1427(10) 0.1103(6) 0.0565(19) Uani 0.65 1 d P B 1
H33 H 0.5240 0.1685 0.0973 0.068 Uiso 0.65 1 calc PR B 1
C34 C 0.5177(7) 0.0779(10) 0.1497(6) 0.0565(19) Uani 0.65 1 d P B 1
H34 H 0.5549 0.0628 0.1651 0.068 Uiso 0.65 1 calc PR B 1
C35 C 0.4825(8) 0.0375(13) 0.1655(7) 0.0565(19) Uani 0.65 1 d P B 1
H35 H 0.4952 -0.0083 0.1909 0.068 Uiso 0.65 1 calc PR B 1
C36 C 0.4279(8) 0.0605(11) 0.1458(7) 0.0565(19) Uani 0.65 1 d P B 1
H36 H 0.4034 0.0334 0.1582 0.068 Uiso 0.65 1 calc PR B 1
C37 C 0.4111(8) 0.1260(12) 0.1065(6) 0.0565(19) Uani 0.65 1 d P B 1
H37 H 0.3738 0.1405 0.0906 0.068 Uiso 0.65 1 calc PR B 1
C101 C 0.429(3) 0.711(6) 0.176(2) 0.163(15) Uani 0.39 1 d PU . .
C102 C 0.1332(15) 0.620(5) 0.012(3) 0.41(4) Uani 1 1 d . . .
C132 C 0.434(3) 0.163(4) 0.090(2) 0.054(3) Uani 0.35 1 d P B 2
C133 C 0.4745(12) 0.165(2) 0.1433(11) 0.054(3) Uani 0.35 1 d P B 2
H133 H 0.4949 0.2183 0.1550 0.065 Uiso 0.35 1 calc PR B 2
C134 C 0.4851(13) 0.093(2) 0.1788(12) 0.054(3) Uani 0.35 1 d P B 2
H134 H 0.5131 0.0965 0.2127 0.065 Uiso 0.35 1 calc PR B 2
C135 C 0.4536(15) 0.020(2) 0.1623(12) 0.054(3) Uani 0.35 1 d P B 2
H135 H 0.4612 -0.0319 0.1837 0.065 Uiso 0.35 1 calc PR B 2
C136 C 0.4113(13) 0.019(2) 0.1151(12) 0.054(3) Uani 0.35 1 d P B 2
H136 H 0.3881 -0.0309 0.1052 0.065 Uiso 0.35 1 calc PR B 2
C137 C 0.4015(13) 0.088(2) 0.0825(13) 0.054(3) Uani 0.35 1 d P B 2
H137 H 0.3696 0.0861 0.0514 0.065 Uiso 0.35 1 calc PR B 2
B2 B 0.1885(6) 0.2932(8) 0.2230(5) 0.059(3) Uani 1 1 d . . .
H2 H 0.1579 0.2602 0.1877 0.070 Uiso 1 1 calc R . .
B3 B 0.2531(5) 0.3214(8) 0.2258(4) 0.056(3) Uani 1 1 d . . .
H3A H 0.2649 0.3076 0.1922 0.067 Uiso 1 1 calc R . .
B4 B 0.3004(6) 0.3073(8) 0.2918(4) 0.057(3) Uani 1 1 d . . .
H4A H 0.3428 0.2844 0.3017 0.068 Uiso 1 1 calc R . .
B5 B 0.2629(6) 0.2735(8) 0.3294(5) 0.063(4) Uani 1 1 d . . .
H5A H 0.2810 0.2281 0.3638 0.076 Uiso 1 1 calc R . .
B6 B 0.1944(6) 0.2658(9) 0.2871(5) 0.064(4) Uani 1 1 d . . .
H6A H 0.1671 0.2156 0.2939 0.077 Uiso 1 1 calc R . .
B7 B 0.2077(5) 0.4075(8) 0.2236(4) 0.051(3) Uani 1 1 d . . .
B8 B 0.2759(5) 0.4153(7) 0.2653(4) 0.047(3) Uani 1 1 d . . .
B9 B 0.2827(6) 0.3881(8) 0.3305(4) 0.055(3) Uani 1 1 d . . .
B10 B 0.2181(6) 0.3600(8) 0.3279(4) 0.056(3) Uani 1 1 d . . .
B11 B 0.1707(5) 0.3718(8) 0.2606(4) 0.055(3) Uani 1 1 d . . .
B12 B 0.2255(6) 0.4492(7) 0.2874(4) 0.058(4) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
P1 Rh1 C7 94.0(2) . 7
P1 Rh1 P2 95.96(9) . .
C7 Rh1 P2 167.4(2) 7 .
P1 Rh1 C4 168.7(3) . 7
C7 Rh1 C4 75.3(3) 7 7
P2 Rh1 C4 95.1(3) . 7
P1 Rh1 C6 109.7(3) . 7
C7 Rh1 C6 35.5(3) 7 7
P2 Rh1 C6 132.7(3) . 7
C4 Rh1 C6 63.4(4) 7 7
P1 Rh1 C5 141.9(3) . 7
C7 Rh1 C5 63.5(4) 7 7
P2 Rh1 C5 104.0(3) . 7
C4 Rh1 C5 35.3(3) 7 7
C6 Rh1 C5 35.1(3) 7 7
P1 Rh1 C3 136.0(3) . 7
C7 Rh1 C3 62.6(3) 7 7
P2 Rh1 C3 113.9(2) . 7
C4 Rh1 C3 35.4(3) 7 7
C6 Rh1 C3 73.5(4) 7 7
C5 Rh1 C3 62.6(4) 7 7
P1 Rh1 C2 106.3(2) . 7
C7 Rh1 C2 35.5(3) 7 7
P2 Rh1 C2 145.9(2) . 7
C4 Rh1 C2 62.9(3) 7 7
C6 Rh1 C2 63.0(3) 7 7
C5 Rh1 C2 73.8(3) 7 7
C3 Rh1 C2 34.0(3) 7 7
C101 Cl1 Cl3 33(2) . .
C101 Cl2 Cl3 35(2) . .
C101 Cl3 Cl2 52(5) . .
C101 Cl3 Cl1 64(5) . .
Cl2 Cl3 Cl1 97.0(16) . .
C102 Cl4 Cl5 54(2) . .
C102 Cl4 Cl6 31(3) . .
Cl5 Cl4 Cl6 84.9(9) . .
C102 Cl5 Cl7 53(2) . .
C102 Cl5 Cl4 62(3) . .
Cl7 Cl5 Cl4 115.1(13) . .
C102 Cl6 Cl7 30(3) . .
C102 Cl6 Cl4 43(3) . .
Cl7 Cl6 Cl4 71.4(5) . .
C102 Cl7 Cl5 61(3) . .
C102 Cl7 Cl6 27(3) . .
Cl5 Cl7 Cl6 88.2(9) . .
C8 P1 C14 100.1(5) . .
C8 P1 C2 100.2(4) . .
C14 P1 C2 103.6(5) . .
C8 P1 Rh1 123.8(3) . .
C14 P1 Rh1 117.4(4) . .
C2 P1 Rh1 108.9(3) . .
C32 P2 C132 10(3) . .
C32 P2 C20 104.8(13) . .
C132 P2 C20 111(2) . .
C32 P2 C26 99.0(8) . .
C132 P2 C26 104.6(13) . .
C20 P2 C26 102.9(5) . .
C32 P2 Rh1 123.9(12) . .
C132 P2 Rh1 114(2) . .
C20 P2 Rh1 114.1(3) . .
C26 P2 Rh1 109.3(3) . .
B2 C1 B6 63.5(7) . .
B2 C1 B5 116.0(9) . .
B6 C1 B5 62.5(7) . .
B2 C1 B4 116.2(8) . .
B6 C1 B4 115.9(8) . .
B5 C1 B4 63.8(7) . .
B2 C1 B3 62.6(7) . .
B6 C1 B3 115.2(9) . .
B5 C1 B3 116.0(8) . .
B4 C1 B3 63.4(6) . .
C3 C2 C7 116.9(9) . .
C3 C2 P1 125.7(7) . .
C7 C2 P1 116.9(7) . .
C3 C2 Rh1 71.7(5) . 7
C7 C2 Rh1 66.7(5) . 7
P1 C2 Rh1 139.1(4) . 7
C2 C3 C4 120.9(9) . .
C2 C3 Rh1 74.4(5) . 7
C4 C3 Rh1 68.6(5) . 7
C5 C4 C3 120.7(10) . .
C5 C4 Rh1 74.8(6) . 7
C3 C4 Rh1 76.0(5) . 7
C4 C5 C6 118.9(10) . .
C4 C5 Rh1 69.9(5) . 7
C6 C5 Rh1 71.8(5) . 7
C7 C6 C5 119.4(9) . .
C7 C6 Rh1 69.8(5) . 7
C5 C6 Rh1 73.1(5) . 7
C6 C7 C2 121.9(9) . .
C6 C7 Rh1 74.7(6) . 7
C2 C7 Rh1 77.8(5) . 7
C13 C8 C9 120.7(10) . .
C13 C8 P1 121.9(9) . .
C9 C8 P1 117.4(9) . .
C10 C9 C8 119.6(15) . .
C11 C10 C9 121.0(17) . .
C10 C11 C12 121.1(13) . .
C13 C12 C11 119.3(15) . .
C8 C13 C12 118.3(14) . .
C15 C14 C19 119.3(10) . .
C15 C14 P1 120.9(8) . .
C19 C14 P1 119.7(9) . .
C14 C15 C16 120.5(12) . .
C17 C16 C15 118.3(13) . .
C18 C17 C16 122.1(12) . .
C17 C18 C19 120.1(13) . .
C18 C19 C14 119.6(13) . .
C21 C20 C25 116.2(10) . .
C21 C20 P2 126.0(8) . .
C25 C20 P2 117.8(9) . .
C20 C21 C22 122.2(12) . .
C23 C22 C21 119.0(13) . .
C22 C23 C24 122.4(14) . .
C23 C24 C25 117.3(15) . .
C24 C25 C20 122.7(14) . .
C27 C26 C31 118.2(9) . .
C27 C26 P2 121.5(8) . .
C31 C26 P2 120.0(8) . .
C28 C27 C26 120.2(10) . .
C27 C28 C29 122.6(12) . .
C28 C29 C30 117.1(11) . .
C31 C30 C29 121.4(10) . .
C30 C31 C26 120.4(10) . .
C37 C32 C33 118(3) . .
C37 C32 P2 119(2) . .
C33 C32 P2 122(2) . .
C34 C33 C32 120(2) . .
C35 C34 C33 120.0(16) . .
C34 C35 C36 122.2(17) . .
C35 C36 C37 116.3(16) . .
C32 C37 C36 123(2) . .
Cl3 C101 Cl2 93(5) . .
Cl3 C101 Cl1 84(6) . .
Cl2 C101 Cl1 124(5) . .
Cl6 C102 Cl7 123(6) . .
Cl6 C102 Cl5 169(6) . .
Cl7 C102 Cl5 65(3) . .
Cl6 C102 Cl4 106(5) . .
Cl7 C102 Cl4 128(5) . .
Cl5 C102 Cl4 64(3) . .
C133 C132 C137 111(5) . .
C133 C132 P2 126(5) . .
C137 C132 P2 122(5) . .
C132 C133 C134 124(4) . .
C135 C134 C133 117(3) . .
C136 C135 C134 120(3) . .
C137 C136 C135 122(3) . .
C136 C137 C132 125(4) . .
C1 B2 B3 59.4(7) . .
C1 B2 B11 104.5(8) . .
B3 B2 B11 108.0(9) . .
C1 B2 B6 58.6(7) . .
B3 B2 B6 108.6(9) . .
B11 B2 B6 59.7(7) . .
C1 B2 B7 104.5(9) . .
B3 B2 B7 59.5(7) . .
B11 B2 B7 60.0(7) . .
B6 B2 B7 107.6(8) . .
C1 B3 B8 104.2(7) . .
C1 B3 B2 57.9(7) . .
B8 B3 B2 108.4(9) . .
C1 B3 B7 104.5(9) . .
B8 B3 B7 59.7(7) . .
B2 B3 B7 61.0(7) . .
C1 B3 B4 58.0(6) . .
B8 B3 B4 61.0(6) . .
B2 B3 B4 107.8(9) . .
B7 B3 B4 108.9(8) . .
C1 B4 B3 58.6(7) . .
C1 B4 B5 58.0(7) . .
B3 B4 B5 107.4(10) . .
C1 B4 B8 102.6(9) . .
B3 B4 B8 58.3(6) . .
B5 B4 B8 107.1(9) . .
C1 B4 B9 103.3(9) . .
B3 B4 B9 106.7(9) . .
B5 B4 B9 59.9(7) . .
B8 B4 B9 59.9(7) . .
C1 B5 B6 58.7(7) . .
C1 B5 B10 104.7(9) . .
B6 B5 B10 60.4(7) . .
C1 B5 B4 58.1(6) . .
B6 B5 B4 108.0(9) . .
B10 B5 B4 108.4(9) . .
C1 B5 B9 103.9(8) . .
B6 B5 B9 107.5(9) . .
B10 B5 B9 59.4(7) . .
B4 B5 B9 60.5(7) . .
C1 B6 B5 58.8(7) . .
C1 B6 B11 104.0(9) . .
B5 B6 B11 109.4(9) . .
C1 B6 B10 104.4(9) . .
B5 B6 B10 59.9(7) . .
B11 B6 B10 61.7(7) . .
C1 B6 B2 57.9(7) . .
B5 B6 B2 108.2(10) . .
B11 B6 B2 59.8(7) . .
B10 B6 B2 109.1(9) . .
B8 B7 B3 59.6(7) . .
B8 B7 B12 60.6(7) . .
B3 B7 B12 108.5(9) . .
B8 B7 B11 108.4(8) . .
B3 B7 B11 107.4(8) . .
B12 B7 B11 60.8(7) . .
B8 B7 B2 107.1(9) . .
B3 B7 B2 59.4(7) . .
B12 B7 B2 108.1(8) . .
B11 B7 B2 59.3(7) . .
B8 B7 Br7 122.2(7) . .
B3 B7 Br7 121.2(7) . .
B12 B7 Br7 121.9(7) . .
B11 B7 Br7 121.9(8) . .
B2 B7 Br7 121.6(8) . .
B3 B8 B7 60.7(7) . .
B3 B8 B12 109.0(9) . .
B7 B8 B12 60.2(7) . .
B3 B8 B4 60.7(6) . .
B7 B8 B4 109.4(8) . .
B12 B8 B4 109.0(8) . .
B3 B8 B9 109.0(8) . .
B7 B8 B9 108.6(8) . .
B12 B8 B9 60.1(7) . .
B4 B8 B9 60.4(6) . .
B3 B8 Br8 121.9(7) . .
B7 B8 Br8 121.7(7) . .
B12 B8 Br8 120.7(7) . .
B4 B8 Br8 120.8(8) . .
B9 B8 Br8 120.4(7) . .
B10 B9 B12 61.3(7) . .
B10 B9 B5 59.3(7) . .
B12 B9 B5 108.0(9) . .
B10 B9 B8 107.8(8) . .
B12 B9 B8 59.2(7) . .
B5 B9 B8 106.8(7) . .
B10 B9 B4 107.6(8) . .
B12 B9 B4 107.6(8) . .
B5 B9 B4 59.7(7) . .
B8 B9 B4 59.7(6) . .
B10 B9 Br9 122.7(7) . .
B12 B9 Br9 124.9(7) . .
B5 B9 Br9 119.7(8) . .
B8 B9 Br9 123.2(8) . .
B4 B9 Br9 119.0(9) . .
B5 B10 B9 61.3(7) . .
B5 B10 B6 59.7(7) . .
B9 B10 B6 108.5(9) . .
B5 B10 B11 107.0(8) . .
B9 B10 B11 107.4(8) . .
B6 B10 B11 59.0(7) . .
B5 B10 B12 108.5(9) . .
B9 B10 B12 60.0(7) . .
B6 B10 B12 106.9(8) . .
B11 B10 B12 59.3(7) . .
B5 B10 Br10 122.9(8) . .
B9 B10 Br10 121.3(7) . .
B6 B10 Br10 123.0(8) . .
B11 B10 Br10 121.7(9) . .
B12 B10 Br10 120.7(7) . .
B6 B11 B2 60.4(7) . .
B6 B11 B7 108.7(9) . .
B2 B11 B7 60.7(7) . .
B6 B11 B12 107.9(9) . .
B2 B11 B12 107.9(9) . .
B7 B11 B12 59.2(6) . .
B6 B11 B10 59.3(7) . .
B2 B11 B10 107.6(9) . .
B7 B11 B10 107.6(9) . .
B12 B11 B10 60.3(7) . .
B6 B11 Br11 121.2(8) . .
B2 B11 Br11 122.4(8) . .
B7 B11 Br11 122.5(8) . .
B12 B11 Br11 121.5(8) . .
B10 B11 Br11 121.0(7) . .
B7 B12 B8 59.2(7) . .
B7 B12 B9 108.3(8) . .
B8 B12 B9 60.7(7) . .
B7 B12 B11 59.9(7) . .
B8 B12 B11 106.6(8) . .
B9 B12 B11 107.2(8) . .
B7 B12 B10 108.2(8) . .
B8 B12 B10 107.0(9) . .
B9 B12 B10 58.7(7) . .
B11 B12 B10 60.3(7) . .
B7 B12 Br12 121.0(8) . .
B8 B12 Br12 123.9(8) . .
B9 B12 Br12 123.2(7) . .
B11 B12 Br12 120.4(9) . .
B10 B12 Br12 121.6(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 P1 2.247(2) .
Rh1 C7 2.254(9) 7
Rh1 P2 2.263(3) .
Rh1 C4 2.270(9) 7
Rh1 C6 2.316(9) 7
Rh1 C5 2.333(9) 7
Rh1 C3 2.365(9) 7
Rh1 C2 2.399(9) 7
Br7 B7 1.952(12) .
Br8 B8 1.978(11) .
Br9 B9 1.949(11) .
Br10 B10 1.948(11) .
Br11 B11 1.952(13) .
Br12 B12 1.933(11) .
Cl1 C101 1.75(8) .
Cl1 Cl3 1.94(4) .
Cl2 C101 1.46(8) .
Cl2 Cl3 1.85(4) .
Cl3 C101 1.05(6) .
Cl4 C102 1.72(7) .
Cl4 Cl5 1.75(3) .
Cl4 Cl6 2.441(19) .
Cl5 C102 1.57(7) .
Cl5 Cl7 1.62(3) .
Cl6 C102 1.32(7) .
Cl6 Cl7 2.42(2) .
Cl7 C102 1.43(6) .
P1 C8 1.838(9) .
P1 C14 1.838(10) .
P1 C2 1.856(10) .
P2 C32 1.79(3) .
P2 C132 1.86(7) .
P2 C20 1.832(10) .
P2 C26 1.838(10) .
C1 B2 1.682(17) .
C1 B6 1.695(17) .
C1 B5 1.697(15) .
C1 B4 1.698(16) .
C1 B3 1.710(15) .
C2 C3 1.392(12) .
C2 C7 1.426(12) .
C2 Rh1 2.399(9) 7
C3 C4 1.411(13) .
C3 Rh1 2.365(9) 7
C4 C5 1.397(14) .
C4 Rh1 2.270(9) 7
C5 C6 1.402(14) .
C5 Rh1 2.333(9) 7
C6 C7 1.394(13) .
C6 Rh1 2.316(9) 7
C7 Rh1 2.254(9) 7
C8 C13 1.383(16) .
C8 C9 1.410(16) .
C9 C10 1.353(16) .
C10 C11 1.33(2) .
C11 C12 1.42(2) .
C12 C13 1.388(16) .
C14 C15 1.396(15) .
C14 C19 1.403(14) .
C15 C16 1.402(14) .
C16 C17 1.380(19) .
C17 C18 1.37(2) .
C18 C19 1.389(16) .
C20 C21 1.318(15) .
C20 C25 1.399(16) .
C21 C22 1.413(17) .
C22 C23 1.305(19) .
C23 C24 1.36(2) .
C24 C25 1.369(18) .
C26 C27 1.384(14) .
C26 C31 1.392(13) .
C27 C28 1.361(14) .
C28 C29 1.381(16) .
C29 C30 1.382(16) .
C30 C31 1.377(14) .
C32 C37 1.35(4) .
C32 C33 1.39(4) .
C33 C34 1.40(2) .
C34 C35 1.34(2) .
C35 C36 1.40(2) .
C36 C37 1.41(2) .
C132 C133 1.44(7) .
C132 C137 1.39(8) .
C133 C134 1.42(4) .
C134 C135 1.36(5) .
C135 C136 1.36(4) .
C136 C137 1.33(4) .
B2 B3 1.764(19) .
B2 B11 1.768(16) .
B2 B6 1.778(17) .
B2 B7 1.792(16) .
B3 B8 1.747(15) .
B3 B7 1.765(18) .
B3 B4 1.790(16) .
B4 B5 1.795(17) .
B4 B8 1.796(16) .
B4 B9 1.810(17) .
B5 B6 1.76(2) .
B5 B10 1.763(19) .
B5 B9 1.799(16) .
B6 B11 1.766(18) .
B6 B10 1.771(16) .
B7 B8 1.748(18) .
B7 B12 1.766(14) .
B7 B11 1.780(16) .
B8 B12 1.773(18) .
B8 B9 1.801(15) .
B9 B10 1.766(19) .
B9 B12 1.790(19) .
B10 B11 1.814(16) .
B10 B12 1.814(16) .
B11 B12 1.796(18) .
