#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/41/4074112.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_4074112
loop_
_publ_author_name
'McGrath, Thomas D.'
'Du, Shaowu'
'Hodson, Bruce E.'
'Stone, F. Gordon A.'
_publ_section_title
;
 Construction of Metal Butterflies on a Metallacarborane Scaffold. 2.
 Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters
;
_journal_issue                   19
_journal_name_full               Organometallics
_journal_page_first              4452
_journal_paper_doi               10.1021/om060418r
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C30.5 H30 Au B9 Cl O5 P Re Rh'
_chemical_formula_weight         1126.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                106.139(6)
_cell_angle_beta                 109.551(6)
_cell_angle_gamma                103.083(6)
_cell_formula_units_Z            2
_cell_length_a                   10.9430(12)
_cell_length_b                   13.5989(14)
_cell_length_c                   14.2374(18)
_cell_measurement_reflns_used    5837
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      26.11
_cell_measurement_theta_min      2.57
_cell_volume                     1794.5(4)
_computing_cell_refinement       'APEX2 (Bruker, 2003)'
_computing_data_collection       'APEX2 (Bruker, 2003)'
_computing_data_reduction        'APEX2 (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXTL (Bruker, 2001)'
_computing_structure_solution    'SHELXTL (Bruker, 2001)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker-Nonius X8 APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0633
_diffrn_reflns_av_sigmaI/netI    0.0681
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            23821
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         26.28
_diffrn_reflns_theta_min         2.57
_exptl_absorpt_coefficient_mu    8.054
_exptl_absorpt_correction_T_max  0.749
_exptl_absorpt_correction_T_min  0.479
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2003)'
_exptl_crystal_colour            gold
_exptl_crystal_density_diffrn    2.084
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1058
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.929
_refine_diff_density_min         -2.418
_refine_diff_density_rms         0.218
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     478
_refine_ls_number_reflns         7159
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0447P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0842
_refine_ls_wR_factor_ref         0.0938
_reflns_number_gt                5499
_reflns_number_total             7159
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om060418rsi20060515_072638.cif
_cod_data_source_block           6b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_original_formula_sum        'C30.50 H30 Au B9 Cl O5 P Re Rh'
_cod_database_code               4074112
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Rh1 Rh 0.70354(6) 0.87575(4) 0.59174(5) 0.01577(14) Uani 1 1 d .
C11 C 0.7746(7) 0.9664(6) 0.5292(7) 0.0230(18) Uani 1 1 d .
O11 O 0.8166(6) 1.0219(5) 0.4919(5) 0.0321(14) Uani 1 1 d .
C12 C 0.5156(8) 0.8638(6) 0.5062(7) 0.0235(18) Uani 1 1 d .
O12 O 0.4090(6) 0.8637(5) 0.4622(5) 0.0393(16) Uani 1 1 d .
B1 B 0.8808(9) 0.8593(7) 0.8339(8) 0.0201(19) Uani 1 1 d D
H1 H 0.939(7) 0.904(5) 0.926(4) 0.024 Uiso 1 1 d D
B2 B 0.7178(10) 0.7594(7) 0.7786(8) 0.021(2) Uani 1 1 d .
H2 H 0.664(8) 0.719(6) 0.820(7) 0.026 Uiso 1 1 d .
B3 B 0.7320(9) 0.8847(7) 0.7615(8) 0.0214(19) Uani 1 1 d .
H3 H 0.722(8) 0.961(6) 0.837(7) 0.026 Uiso 1 1 d .
B4 B 0.8939(8) 0.9352(7) 0.7506(8) 0.0192(19) Uani 1 1 d .
H4 H 0.948(7) 1.034(6) 0.793(6) 0.023 Uiso 1 1 d .
B5 B 0.9783(9) 0.8394(7) 0.7574(8) 0.022(2) Uani 1 1 d .
H5 H 1.091(8) 0.865(6) 0.791(7) 0.027 Uiso 1 1 d .
B6 B 0.8473(10) 0.7213(7) 0.7458(9) 0.025(2) Uani 1 1 d .
H6 H 0.879(8) 0.657(6) 0.766(7) 0.030 Uiso 1 1 d .
C7 C 0.6167(7) 0.7740(6) 0.6653(6) 0.0191(16) Uani 1 1 d .
B9 B 0.9190(9) 0.8630(7) 0.6383(8) 0.0188(19) Uani 1 1 d .
H9 H 0.996(7) 0.911(6) 0.606(6) 0.023 Uiso 1 1 d .
B10 B 0.8652(9) 0.7302(7) 0.6303(8) 0.0202(19) Uani 1 1 d .
H10 H 0.892(8) 0.663(6) 0.591(7) 0.024 Uiso 1 1 d .
B11 B 0.6861(9) 0.6875(6) 0.6388(8) 0.0187(18) Uani 1 1 d .
H11 H 0.630(8) 0.605(6) 0.599(6) 0.022 Uiso 1 1 d .
C71 C 0.4623(7) 0.7446(6) 0.6327(7) 0.0209(17) Uani 1 1 d .
C72 C 0.3712(9) 0.6424(7) 0.5588(8) 0.034(2) Uani 1 1 d .
H72 H 0.4052 0.5883 0.5307 0.040 Uiso 1 1 calc R
C73 C 0.2297(9) 0.6182(8) 0.5253(9) 0.048(3) Uani 1 1 d .
H73 H 0.1679 0.5475 0.4738 0.058 Uiso 1 1 calc R
C74 C 0.1770(9) 0.6944(8) 0.5648(9) 0.042(2) Uani 1 1 d .
H74 H 0.0797 0.6769 0.5405 0.050 Uiso 1 1 calc R
C75 C 0.2667(9) 0.7955(7) 0.6396(8) 0.034(2) Uani 1 1 d .
H75 H 0.2319 0.8494 0.6672 0.041 Uiso 1 1 calc R
C76 C 0.4084(8) 0.8196(7) 0.6754(8) 0.030(2) Uani 1 1 d .
H76 H 0.4699 0.8889 0.7303 0.036 Uiso 1 1 calc R
Re1 Re 0.78899(3) 1.06933(2) 0.77458(3) 0.01815(9) Uani 1 1 d .
C31 C 0.8656(8) 1.1805(6) 0.7303(7) 0.0234(18) Uani 1 1 d .
O31 O 0.9111(6) 1.2447(4) 0.7015(5) 0.0315(14) Uani 1 1 d .
C32 C 0.6217(8) 1.1016(6) 0.7417(7) 0.0231(17) Uani 1 1 d .
O32 O 0.5205(6) 1.1197(5) 0.7222(5) 0.0364(15) Uani 1 1 d .
C33 C 0.8689(8) 1.1804(6) 0.9154(8) 0.028(2) Uani 1 1 d .
O33 O 0.9166(6) 1.2482(5) 1.0006(5) 0.0356(15) Uani 1 1 d .
Au1 Au 0.76901(3) 0.71778(2) 0.46108(3) 0.02085(9) Uani 1 1 d .
P1 P 0.6658(2) 0.63660(15) 0.27657(17) 0.0195(4) Uani 1 1 d .
C111 C 0.7232(7) 0.7119(6) 0.2028(6) 0.0180(16) Uani 1 1 d .
C112 C 0.7432(8) 0.6611(7) 0.1125(7) 0.0271(19) Uani 1 1 d .
H112 H 0.7368 0.5868 0.0931 0.033 Uiso 1 1 calc R
C113 C 0.7720(8) 0.7171(7) 0.0513(7) 0.0300(19) Uani 1 1 d .
H113 H 0.7833 0.6810 -0.0110 0.036 Uiso 1 1 calc R
C114 C 0.7848(8) 0.8265(7) 0.0804(7) 0.029(2) Uani 1 1 d .
H114 H 0.8059 0.8652 0.0383 0.035 Uiso 1 1 calc R
C115 C 0.7667(9) 0.8796(7) 0.1705(8) 0.034(2) Uani 1 1 d .
H115 H 0.7744 0.9542 0.1897 0.041 Uiso 1 1 calc R
C116 C 0.7374(8) 0.8229(6) 0.2327(7) 0.0267(19) Uani 1 1 d .
H116 H 0.7269 0.8592 0.2953 0.032 Uiso 1 1 calc R
C121 C 0.4792(7) 0.6065(5) 0.2226(7) 0.0191(17) Uani 1 1 d .
C122 C 0.4059(8) 0.6080(6) 0.1244(7) 0.0242(18) Uani 1 1 d .
H122 H 0.4514 0.6215 0.0806 0.029 Uiso 1 1 calc R
C123 C 0.2647(9) 0.5896(6) 0.0887(8) 0.036(2) Uani 1 1 d .
H123 H 0.2144 0.5900 0.0200 0.043 Uiso 1 1 calc R
C124 C 0.1976(9) 0.5711(7) 0.1508(8) 0.038(2) Uani 1 1 d .
H124 H 0.1013 0.5590 0.1259 0.046 Uiso 1 1 calc R
C125 C 0.2698(9) 0.5700(7) 0.2487(9) 0.043(3) Uani 1 1 d .
H125 H 0.2232 0.5563 0.2918 0.051 Uiso 1 1 calc R
C126 C 0.4116(9) 0.5889(7) 0.2866(8) 0.032(2) Uani 1 1 d .
H126 H 0.4616 0.5896 0.3559 0.038 Uiso 1 1 calc R
C131 C 0.6945(9) 0.5086(6) 0.2313(7) 0.0251(19) Uani 1 1 d .
C132 C 0.5880(9) 0.4121(6) 0.1605(8) 0.034(2) Uani 1 1 d .
H132 H 0.4947 0.4095 0.1369 0.040 Uiso 1 1 calc R
C133 C 0.6179(9) 0.3163(6) 0.1226(8) 0.038(2) Uani 1 1 d .
H133 H 0.5447 0.2497 0.0722 0.046 Uiso 1 1 calc R
C134 C 0.7484(11) 0.3198(7) 0.1579(9) 0.041(2) Uani 1 1 d .
H134 H 0.7681 0.2558 0.1315 0.049 Uiso 1 1 calc R
C135 C 0.8567(9) 0.4167(7) 0.2332(8) 0.036(2) Uani 1 1 d .
H135 H 0.9489 0.4171 0.2600 0.043 Uiso 1 1 calc R
C136 C 0.8314(9) 0.5121(7) 0.2694(7) 0.033(2) Uani 1 1 d .
H136 H 0.9054 0.5785 0.3190 0.039 Uiso 1 1 calc R
Cl1S Cl 0.6294(3) 0.0199(2) -0.0101(3) 0.0646(8) Uani 1 1 d .
C1S C 0.542(2) 0.008(2) 0.0674(17) 0.060(6) Uani 0.50 1 d P
H1S1 H 0.5586 -0.0497 0.0937 0.072 Uiso 0.50 1 calc PR
H1S2 H 0.5840 0.0778 0.1315 0.072 Uiso 0.50 1 calc PR
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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
C11 Rh1 C12 90.5(3) .
C11 Rh1 C7 178.0(3) .
C12 Rh1 C7 88.2(3) .
C11 Rh1 B4 98.9(3) .
C12 Rh1 B4 152.5(3) .
C7 Rh1 B4 81.7(3) .
C11 Rh1 B9 81.2(3) .
C12 Rh1 B9 161.7(3) .
C7 Rh1 B9 100.5(3) .
B4 Rh1 B9 45.7(3) .
C11 Rh1 B3 137.7(3) .
C12 Rh1 B3 110.9(3) .
C7 Rh1 B3 41.8(3) .
B4 Rh1 B3 47.0(3) .
B9 Rh1 B3 85.8(3) .
C11 Rh1 B11 148.2(3) .
C12 Rh1 B11 107.7(3) .
C7 Rh1 B11 33.8(2) .
B4 Rh1 B11 77.1(3) .
B9 Rh1 B11 73.5(3) .
B3 Rh1 B11 60.0(3) .
C11 Rh1 Au1 84.1(2) .
C12 Rh1 Au1 107.3(2) .
C7 Rh1 Au1 97.70(19) .
B4 Rh1 Au1 99.4(2) .
B9 Rh1 Au1 55.9(2) .
B3 Rh1 Au1 120.5(2) .
B11 Rh1 Au1 65.83(18) .
C11 Rh1 Re1 86.9(2) .
C12 Rh1 Re1 101.3(2) .
C7 Rh1 Re1 91.9(2) .
B4 Rh1 Re1 54.0(2) .
B9 Rh1 Re1 94.6(2) .
B3 Rh1 Re1 54.2(2) .
B11 Rh1 Re1 113.77(19) .
Au1 Rh1 Re1 150.08(2) .
C11 Rh1 B10 110.8(3) .
C12 Rh1 B10 139.0(3) .
C7 Rh1 B10 71.2(2) .
B4 Rh1 B10 60.5(3) .
B9 Rh1 B10 35.2(3) .
B3 Rh1 B10 76.9(3) .
B11 Rh1 B10 39.6(2) .
Au1 Rh1 B10 44.94(19) .
Re1 Rh1 B10 114.06(19) .
O11 C11 Rh1 179.1(7) .
O12 C12 Rh1 175.2(8) .
B2 B1 B5 115.0(7) .
B2 B1 B3 60.4(5) .
B5 B1 B3 110.2(7) .
B2 B1 B4 111.8(6) .
B5 B1 B4 59.3(5) .
B3 B1 B4 61.4(5) .
B2 B1 B6 59.7(5) .
B5 B1 B6 60.9(5) .
B3 B1 B6 101.6(6) .
B4 B1 B6 102.4(6) .
C7 B2 B1 107.4(6) .
C7 B2 B3 54.7(5) .
B1 B2 B3 61.0(5) .
C7 B2 B6 103.7(6) .
B1 B2 B6 62.4(5) .
B3 B2 B6 103.9(6) .
C7 B2 B11 52.3(4) .
B1 B2 B11 104.0(6) .
B3 B2 B11 92.0(6) .
B6 B2 B11 58.4(5) .
C7 B3 B2 61.1(5) .
C7 B3 B1 110.7(6) .
B2 B3 B1 58.6(5) .
C7 B3 B4 116.7(6) .
B2 B3 B4 109.0(6) .
B1 B3 B4 59.7(5) .
C7 B3 Rh1 65.5(4) .
B2 B3 Rh1 114.7(5) .
B1 B3 Rh1 114.8(5) .
B4 B3 Rh1 65.9(4) .
C7 B3 Re1 130.7(6) .
B2 B3 Re1 168.2(6) .
B1 B3 Re1 111.5(5) .
B4 B3 Re1 67.1(4) .
Rh1 B3 Re1 74.5(3) .
B5 B4 B9 59.2(5) .
B5 B4 B1 59.8(5) .
B9 B4 B1 112.4(6) .
B5 B4 B3 108.6(6) .
B9 B4 B3 120.4(6) .
B1 B4 B3 58.9(5) .
B5 B4 Rh1 112.9(5) .
B9 B4 Rh1 67.5(4) .
B1 B4 Rh1 115.0(5) .
B3 B4 Rh1 67.1(4) .
B5 B4 Re1 169.7(6) .
B9 B4 Re1 131.1(5) .
B1 B4 Re1 111.5(5) .
B3 B4 Re1 67.8(4) .
Rh1 B4 Re1 75.1(2) .
B9 B5 B4 60.6(5) .
B9 B5 B1 114.5(6) .
B4 B5 B1 60.9(5) .
B9 B5 B10 58.5(5) .
B4 B5 B10 100.0(6) .
B1 B5 B10 107.3(6) .
B9 B5 B6 108.8(7) .
B4 B5 B6 103.4(6) .
B1 B5 B6 60.7(5) .
B10 B5 B6 58.1(5) .
B10 B6 B11 68.2(6) .
B10 B6 B2 120.1(7) .
B11 B6 B2 62.4(5) .
B10 B6 B1 106.8(6) .
B11 B6 B1 103.6(6) .
B2 B6 B1 57.9(5) .
B10 B6 B5 59.9(5) .
B11 B6 B5 112.0(6) .
B2 B6 B5 111.0(6) .
B1 B6 B5 58.3(5) .
C71 C7 B11 123.4(6) .
C71 C7 B3 124.1(6) .
B11 C7 B3 109.4(6) .
C71 C7 B2 119.3(6) .
B11 C7 B2 67.5(5) .
B3 C7 B2 64.2(5) .
C71 C7 Rh1 115.8(5) .
B11 C7 Rh1 95.1(5) .
B3 C7 Rh1 72.7(4) .
B2 C7 Rh1 122.5(5) .
B10 B9 B5 61.8(5) .
B10 B9 B4 102.0(6) .
B5 B9 B4 60.2(5) .
B10 B9 Rh1 94.9(5) .
B5 B9 Rh1 113.1(5) .
B4 B9 Rh1 66.8(4) .
B10 B9 Au1 61.7(4) .
B5 B9 Au1 123.5(5) .
B4 B9 Au1 135.2(5) .
Rh1 B9 Au1 73.2(3) .
B9 B10 B6 113.2(7) .
B9 B10 B5 59.7(5) .
B6 B10 B5 62.0(5) .
B9 B10 B11 112.5(5) .
B6 B10 B11 56.0(5) .
B5 B10 B11 104.4(6) .
B9 B10 Au1 75.1(5) .
B6 B10 Au1 149.5(6) .
B5 B10 Au1 134.8(5) .
B11 B10 Au1 93.4(4) .
B9 B10 Rh1 49.8(3) .
B6 B10 Rh1 98.2(4) .
B5 B10 Rh1 86.5(4) .
B11 B10 Rh1 65.3(3) .
Au1 B10 Rh1 63.7(2) .
C7 B11 B6 111.2(7) .
C7 B11 B2 60.2(5) .
B6 B11 B2 59.2(5) .
C7 B11 B10 120.7(6) .
B6 B11 B10 55.8(5) .
B2 B11 B10 107.0(6) .
C7 B11 Rh1 51.0(3) .
B6 B11 Rh1 104.7(4) .
B2 B11 Rh1 93.3(4) .
B10 B11 Rh1 75.1(3) .
C72 C71 C76 118.0(7) .
C72 C71 C7 120.7(7) .
C76 C71 C7 121.3(7) .
C71 C72 C73 120.2(8) .
C74 C73 C72 121.4(9) .
C75 C74 C73 118.9(8) .
C74 C75 C76 120.1(8) .
C75 C76 C71 121.3(8) .
H4 Re1 C33 94(2) .
H4 Re1 C32 175(2) .
C33 Re1 C32 90.3(3) .
H4 Re1 C31 87(2) .
C33 Re1 C31 86.7(4) .
C32 Re1 C31 90.2(3) .
H4 Re1 H3 91(3) .
C33 Re1 H3 88(2) .
C32 Re1 H3 92(2) .
C31 Re1 H3 174(2) .
H4 Re1 B4 30(2) .
C33 Re1 B4 116.0(3) .
C32 Re1 B4 147.6(3) .
C31 Re1 B4 108.8(3) .
H3 Re1 B4 72(2) .
H4 Re1 B3 73(2) .
C33 Re1 B3 116.9(3) .
C32 Re1 B3 107.4(3) .
C31 Re1 B3 149.6(3) .
H3 Re1 B3 34(2) .
B4 Re1 B3 45.1(3) .
H4 Re1 Rh1 75(2) .
C33 Re1 Rh1 166.0(2) .
C32 Re1 Rh1 100.5(2) .
C31 Re1 Rh1 102.0(2) .
H3 Re1 Rh1 83(2) .
B4 Re1 Rh1 50.9(2) .
B3 Re1 Rh1 51.3(2) .
O31 C31 Re1 178.2(7) .
O32 C32 Re1 179.1(7) .
O33 C33 Re1 179.5(8) .
B10 Au1 P1 157.6(2) .
B10 Au1 B9 43.1(3) .
P1 Au1 B9 156.9(2) .
B10 Au1 Rh1 71.4(2) .
P1 Au1 Rh1 126.82(5) .
B9 Au1 Rh1 50.92(18) .
C111 P1 C131 104.3(3) .
C111 P1 C121 104.4(3) .
C131 P1 C121 107.8(4) .
C111 P1 Au1 117.5(3) .
C131 P1 Au1 110.5(3) .
C121 P1 Au1 111.7(3) .
C112 C111 C116 119.0(7) .
C112 C111 P1 122.0(6) .
C116 C111 P1 118.8(6) .
C113 C112 C111 120.8(8) .
C112 C113 C114 120.1(8) .
C115 C114 C113 120.4(8) .
C114 C115 C116 119.6(8) .
C115 C116 C111 120.1(8) .
C122 C121 C126 119.2(7) .
C122 C121 P1 122.0(6) .
C126 C121 P1 118.7(6) .
C121 C122 C123 120.1(8) .
C124 C123 C122 120.9(9) .
C125 C124 C123 119.4(8) .
C124 C125 C126 120.8(9) .
C121 C126 C125 119.6(9) .
C132 C131 C136 120.5(7) .
C132 C131 P1 122.3(6) .
C136 C131 P1 117.2(6) .
C131 C132 C133 119.6(7) .
C134 C133 C132 120.0(8) .
C133 C134 C135 120.6(8) .
C136 C135 C134 120.8(8) .
C135 C136 C131 118.5(8) .
C1S Cl1S C1S 62.5(12) 2_655
Cl1S C1S Cl1S 117.5(12) 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Rh1 C11 1.886(8) .
Rh1 C12 1.950(8) .
Rh1 C7 2.188(7) .
Rh1 B4 2.275(9) .
Rh1 B9 2.287(8) .
Rh1 B3 2.295(9) .
Rh1 B11 2.803(8) .
Rh1 Au1 2.8206(7) .
Rh1 Re1 2.8333(8) .
Rh1 B10 2.981(8) .
C11 O11 1.137(9) .
C12 O12 1.123(9) .
B1 B2 1.737(13) .
B1 B5 1.773(12) .
B1 B3 1.778(12) .
B1 B4 1.793(12) .
B1 B6 1.817(12) .
B2 C7 1.718(12) .
B2 B3 1.768(11) .
B2 B6 1.771(11) .
B2 B11 1.829(13) .
B3 C7 1.603(12) .
B3 B4 1.823(12) .
B3 Re1 2.383(8) .
B4 B5 1.765(11) .
B4 B9 1.773(12) .
B4 Re1 2.372(8) .
B5 B9 1.749(13) .
B5 B10 1.785(13) .
B5 B6 1.821(12) .
B6 B10 1.752(13) .
B6 B11 1.758(13) .
C7 C71 1.516(10) .
C7 B11 1.566(10) .
B9 B10 1.726(12) .
B9 Au1 2.439(9) .
B10 B11 1.968(12) .
B10 Au1 2.222(10) .
C71 C72 1.374(12) .
C71 C76 1.389(10) .
C72 C73 1.385(12) .
C73 C74 1.373(13) .
C74 C75 1.365(13) .
C75 C76 1.386(11) .
Re1 H4 1.87(7) .
Re1 C33 1.900(9) .
Re1 C32 1.915(8) .
Re1 C31 1.923(8) .
Re1 H3 2.05(7) .
C31 O31 1.148(9) .
C32 O32 1.149(9) .
C33 O33 1.153(10) .
Au1 P1 2.288(2) .
P1 C111 1.815(8) .
P1 C131 1.817(7) .
P1 C121 1.824(7) .
C111 C112 1.392(11) .
C111 C116 1.406(10) .
C112 C113 1.372(11) .
C113 C114 1.389(11) .
C114 C115 1.388(12) .
C115 C116 1.392(11) .
C121 C122 1.367(11) .
C121 C126 1.388(11) .
C122 C123 1.391(11) .
C123 C124 1.365(13) .
C124 C125 1.358(13) .
C125 C126 1.395(12) .
C131 C132 1.372(12) .
C131 C136 1.396(11) .
C132 C133 1.420(11) .
C133 C134 1.331(13) .
C134 C135 1.395(13) .
C135 C136 1.382(11) .
Cl1S C1S 1.68(2) 2_655
Cl1S C1S 1.70(2) .
C1S Cl1S 1.68(2) 2_655
