#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:57:32 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180162 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/58/7105882.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_7105882
loop_
_publ_author_name
'Thomas S. Teets'
'Markus P. Neumann'
'Daniel G. Nocera'
_publ_section_title
;
 Heterobimetallic Rhodium-Gold Halide and Hydride Complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              1485
_journal_paper_doi               10.1039/c0cc03261a
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C52 H94 Au Cl3 F6 O P5 Rh'
_chemical_formula_weight         1410.35
_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                 102.251(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.031(2)
_cell_length_b                   21.469(3)
_cell_length_c                   20.325(3)
_cell_measurement_reflns_used    9254
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.58
_cell_measurement_theta_min      2.41
_cell_volume                     6409.5(16)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0514
_diffrn_reflns_av_sigmaI/netI    0.0290
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            145895
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         1.40
_exptl_absorpt_coefficient_mu    2.844
_exptl_absorpt_correction_T_max  0.4825
_exptl_absorpt_correction_T_min  0.3958
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.462
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2872
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         3.246
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.142
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     687
_refine_ls_number_reflns         18727
_refine_ls_number_restraints     253
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0401
_refine_ls_R_factor_gt           0.0329
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0429P)²+22.1558P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0930
_refine_ls_wR_factor_ref         0.0978
_reflns_number_gt                16517
_reflns_number_total             18727
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC03261A.TXT
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        6409.6(16)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7105882
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
Au1 Au 0.061318(8) 0.171831(6) 0.688708(6) 0.01406(4) Uani 1 1 d . . .
Rh1 Rh 0.203153(16) 0.090214(11) 0.763609(11) 0.01256(5) Uani 1 1 d U . .
P1 P 0.10457(5) 0.05855(4) 0.83218(4) 0.01263(14) Uani 1 1 d . . .
P2 P -0.04288(5) 0.14962(4) 0.75383(4) 0.01449(14) Uani 1 1 d . . .
P3 P 0.31041(5) 0.12285(4) 0.70309(4) 0.01415(14) Uani 1 1 d . A .
P4 P 0.15644(5) 0.20554(4) 0.62050(4) 0.01407(14) Uani 1 1 d . . .
Cl1 Cl 0.23427(6) 0.18169(4) 0.83023(4) 0.02313(16) Uani 1 1 d U . .
C1 C 0.0144(2) 0.11628(15) 0.83471(15) 0.0153(6) Uani 1 1 d . . .
H1A H -0.0322 0.0963 0.8555 0.018 Uiso 1 1 calc R . .
H1B H 0.0415 0.1508 0.8646 0.018 Uiso 1 1 calc R . .
C2 C 0.2771(2) 0.19872(15) 0.66232(15) 0.0160(6) Uani 1 1 d . . .
H2A H 0.2916 0.2318 0.6968 0.019 Uiso 1 1 calc R . .
H2B H 0.3146 0.2064 0.6285 0.019 Uiso 1 1 calc R . .
C3 C 0.1670(3) 0.02668(17) 0.70410(19) 0.0236(7) Uani 1 1 d . . .
O1 O 0.1414(2) -0.01026(16) 0.66512(15) 0.0355(7) Uani 1 1 d . . .
C11 C 0.1594(2) 0.04564(16) 0.92263(15) 0.0179(6) Uani 1 1 d . . .
H11 H 0.1344 0.0056 0.9363 0.021 Uiso 1 1 calc R . .
C12 C 0.1390(3) 0.0959(2) 0.97110(18) 0.0284(8) Uani 1 1 d . . .
H12A H 0.0724 0.1001 0.9662 0.034 Uiso 1 1 calc R . .
H12B H 0.1634 0.1364 0.9599 0.034 Uiso 1 1 calc R . .
C13 C 0.1828(3) 0.0782(3) 1.04411(19) 0.0389(11) Uani 1 1 d . . .
H13A H 0.1544 0.0395 1.0563 0.047 Uiso 1 1 calc R . .
H13B H 0.1710 0.1117 1.0747 0.047 Uiso 1 1 calc R . .
C14 C 0.2862(3) 0.0683(2) 1.05395(19) 0.0313(8) Uani 1 1 d . . .
H14A H 0.3159 0.1082 1.0469 0.038 Uiso 1 1 calc R . .
H14B H 0.3113 0.0542 1.1006 0.038 Uiso 1 1 calc R . .
C15 C 0.3067(3) 0.01977(18) 1.00438(18) 0.0266(7) Uani 1 1 d . . .
H15A H 0.2838 -0.0213 1.0154 0.032 Uiso 1 1 calc R . .
H15B H 0.3734 0.0164 1.0089 0.032 Uiso 1 1 calc R . .
C16 C 0.2626(2) 0.03663(17) 0.93170(17) 0.0207(6) Uani 1 1 d . . .
H16A H 0.2746 0.0031 0.9013 0.025 Uiso 1 1 calc R . .
H16B H 0.2902 0.0755 0.9190 0.025 Uiso 1 1 calc R . .
C21 C 0.0458(2) -0.01547(15) 0.80487(15) 0.0144(5) Uani 1 1 d . . .
H21 H 0.0221 -0.0116 0.7552 0.017 Uiso 1 1 calc R . .
C22 C -0.0364(2) -0.03202(16) 0.83498(16) 0.0175(6) Uani 1 1 d . . .
H22A H -0.0795 0.0034 0.8293 0.021 Uiso 1 1 calc R . .
H22B H -0.0161 -0.0405 0.8837 0.021 Uiso 1 1 calc R . .
C23 C -0.0839(2) -0.08990(17) 0.79915(17) 0.0215(6) Uani 1 1 d . . .
H23A H -0.1361 -0.1012 0.8194 0.026 Uiso 1 1 calc R . .
H23B H -0.1078 -0.0801 0.7511 0.026 Uiso 1 1 calc R . .
C24 C -0.0187(3) -0.14536(17) 0.8046(2) 0.0269(7) Uani 1 1 d . . .
H24A H -0.0019 -0.1591 0.8521 0.032 Uiso 1 1 calc R . .
H24B H -0.0499 -0.1804 0.7776 0.032 Uiso 1 1 calc R . .
C25 C 0.0677(2) -0.12893(17) 0.78003(19) 0.0246(7) Uani 1 1 d . . .
H25A H 0.0522 -0.1221 0.7307 0.030 Uiso 1 1 calc R . .
H25B H 0.1109 -0.1643 0.7892 0.030 Uiso 1 1 calc R . .
C26 C 0.1136(2) -0.07033(15) 0.81463(17) 0.0182(6) Uani 1 1 d . . .
H26A H 0.1668 -0.0594 0.7954 0.022 Uiso 1 1 calc R . .
H26B H 0.1356 -0.0785 0.8633 0.022 Uiso 1 1 calc R . .
C31 C -0.1009(2) 0.21969(16) 0.77621(18) 0.0209(6) Uani 1 1 d . . .
H31 H -0.1449 0.2066 0.8043 0.025 Uiso 1 1 calc R . .
C32 C -0.0331(3) 0.26635(17) 0.8171(2) 0.0262(7) Uani 1 1 d . . .
H32A H -0.0005 0.2464 0.8593 0.031 Uiso 1 1 calc R . .
H32B H 0.0125 0.2785 0.7908 0.031 Uiso 1 1 calc R . .
C33 C -0.0832(3) 0.32440(18) 0.8340(3) 0.0359(10) Uani 1 1 d . . .
H33A H -0.0384 0.3545 0.8587 0.043 Uiso 1 1 calc R . .
H33B H -0.1249 0.3125 0.8635 0.043 Uiso 1 1 calc R . .
C34 C -0.1378(4) 0.3555(2) 0.7701(3) 0.0493(13) Uani 1 1 d . . .
H34A H -0.1718 0.3915 0.7827 0.059 Uiso 1 1 calc R . .
H34B H -0.0955 0.3712 0.7426 0.059 Uiso 1 1 calc R . .
C35 C -0.2041(4) 0.3097(2) 0.7288(3) 0.0469(12) Uani 1 1 d . . .
H35A H -0.2359 0.3300 0.6866 0.056 Uiso 1 1 calc R . .
H35B H -0.2505 0.2976 0.7545 0.056 Uiso 1 1 calc R . .
C36 C -0.1548(3) 0.2513(2) 0.7118(2) 0.0325(9) Uani 1 1 d . . .
H36A H -0.1126 0.2629 0.6826 0.039 Uiso 1 1 calc R . .
H36B H -0.1999 0.2216 0.6867 0.039 Uiso 1 1 calc R . .
C41 C -0.1303(2) 0.09240(16) 0.71543(15) 0.0166(6) Uani 1 1 d . . .
H41 H -0.1010 0.0506 0.7252 0.020 Uiso 1 1 calc R . .
C42 C -0.1572(3) 0.09690(18) 0.63820(17) 0.0242(7) Uani 1 1 d . . .
H42A H -0.1900 0.1365 0.6252 0.029 Uiso 1 1 calc R . .
H42B H -0.1017 0.0968 0.6193 0.029 Uiso 1 1 calc R . .
C43 C -0.2184(3) 0.0420(2) 0.60932(19) 0.0276(8) Uani 1 1 d . . .
H43A H -0.2377 0.0469 0.5599 0.033 Uiso 1 1 calc R . .
H43B H -0.1832 0.0028 0.6183 0.033 Uiso 1 1 calc R . .
C44 C -0.3026(3) 0.0377(2) 0.6398(2) 0.0303(8) Uani 1 1 d . . .
H44A H -0.3373 -0.0004 0.6231 0.036 Uiso 1 1 calc R . .
H44B H -0.3423 0.0741 0.6254 0.036 Uiso 1 1 calc R . .
C45 C -0.2765(2) 0.03575(19) 0.7170(2) 0.0269(7) Uani 1 1 d . . .
H45A H -0.2442 -0.0037 0.7315 0.032 Uiso 1 1 calc R . .
H45B H -0.3325 0.0367 0.7353 0.032 Uiso 1 1 calc R . .
C46 C -0.2153(2) 0.09080(17) 0.74583(18) 0.0213(6) Uani 1 1 d . . .
H46A H -0.2495 0.1303 0.7355 0.026 Uiso 1 1 calc R . .
H46B H -0.1970 0.0867 0.7954 0.026 Uiso 1 1 calc R . .
C51 C 0.4267(2) 0.13398(18) 0.75462(18) 0.0257(7) Uani 1 1 d DU . .
H51A H 0.4689 0.1191 0.7259 0.031 Uiso 0.806(7) 1 calc PR A 1
H51B H 0.4076 0.1696 0.7802 0.031 Uiso 0.194(7) 1 calc PR A 2
C52 C 0.4439(2) 0.09109(17) 0.81638(16) 0.0215(7) Uani 1 1 d DU A .
H52A H 0.4030 0.1034 0.8464 0.026 Uiso 0.806(7) 1 calc PR A 1
H52B H 0.4286 0.0478 0.8015 0.026 Uiso 0.806(7) 1 calc PR A 1
H52C H 0.4620 0.0491 0.8038 0.026 Uiso 0.194(7) 1 calc PR A 2
H52D H 0.3878 0.0870 0.8342 0.026 Uiso 0.194(7) 1 calc PR A 2
C53 C 0.5416(3) 0.0931(2) 0.8559(2) 0.0256(10) Uani 0.806(7) 1 d PDU A 1
H53A H 0.5481 0.0670 0.8967 0.031 Uiso 0.806(7) 1 calc PR A 1
H53B H 0.5827 0.0764 0.8280 0.031 Uiso 0.806(7) 1 calc PR A 1
C54 C 0.5677(4) 0.1599(2) 0.8757(2) 0.0302(12) Uani 0.806(7) 1 d PDU A 1
H54A H 0.6322 0.1614 0.8998 0.036 Uiso 0.806(7) 1 calc PR A 1
H54B H 0.5298 0.1752 0.9067 0.036 Uiso 0.806(7) 1 calc PR A 1
C55 C 0.5540(3) 0.2020(2) 0.8136(3) 0.0253(11) Uani 0.806(7) 1 d PDU A 1
H55A H 0.5953 0.1885 0.7844 0.030 Uiso 0.806(7) 1 calc PR A 1
H55B H 0.5699 0.2454 0.8280 0.030 Uiso 0.806(7) 1 calc PR A 1
C56 C 0.4551(3) 0.19972(19) 0.7736(2) 0.0196(9) Uani 0.806(7) 1 d PDU A 1
H56A H 0.4144 0.2176 0.8011 0.024 Uiso 0.806(7) 1 calc PR A 1
H56B H 0.4493 0.2252 0.7323 0.024 Uiso 0.806(7) 1 calc PR A 1
C2S C 0.0857(5) 0.2657(3) 1.0595(3) 0.0264(14) Uani 0.517(2) 1 d PDU B 1
H2S1 H 0.1448 0.2478 1.0551 0.032 Uiso 0.517(2) 1 calc PR B 1
H2S2 H 0.0395 0.2322 1.0504 0.032 Uiso 0.517(2) 1 calc PR B 1
Cl4S Cl 0.09470(13) 0.29311(9) 1.14271(9) 0.0304(4) Uani 0.517(2) 1 d PDU B 1
Cl3S Cl 0.05555(16) 0.32435(9) 1.00090(9) 0.0330(5) Uani 0.517(2) 1 d PDU B 1
C53A C 0.5227(10) 0.1206(10) 0.8717(7) 0.029(4) Uani 0.194(7) 1 d PDU A 2
H53C H 0.4966 0.1550 0.8940 0.034 Uiso 0.194(7) 1 calc PR A 2
H53D H 0.5450 0.0885 0.9062 0.034 Uiso 0.194(7) 1 calc PR A 2
C54A C 0.6040(10) 0.1460(9) 0.8460(8) 0.029(4) Uani 0.194(7) 1 d PDU A 2
H54C H 0.6479 0.1648 0.8840 0.035 Uiso 0.194(7) 1 calc PR A 2
H54D H 0.6349 0.1111 0.8282 0.035 Uiso 0.194(7) 1 calc PR A 2
C55A C 0.5764(11) 0.1948(8) 0.7908(8) 0.023(4) Uani 0.194(7) 1 d PDU A 2
H55C H 0.6298 0.2059 0.7720 0.028 Uiso 0.194(7) 1 calc PR A 2
H55D H 0.5555 0.2330 0.8104 0.028 Uiso 0.194(7) 1 calc PR A 2
C56A C 0.5002(8) 0.1706(7) 0.7345(7) 0.017(3) Uani 0.194(7) 1 d PDU A 2
H56C H 0.4719 0.2068 0.7078 0.021 Uiso 0.194(7) 1 calc PR A 2
H56D H 0.5282 0.1443 0.7043 0.021 Uiso 0.194(7) 1 calc PR A 2
C1S C 0.2524(5) 0.3069(3) 0.9302(4) 0.0235(14) Uani 0.483(2) 1 d PD B 2
H1S1 H 0.2134 0.3391 0.9446 0.028 Uiso 0.483(2) 1 calc PR B 2
H1S2 H 0.2119 0.2766 0.9016 0.028 Uiso 0.483(2) 1 calc PR B 2
Cl1S Cl 0.31342(15) 0.26811(12) 1.00174(11) 0.0379(5) Uani 0.483(2) 1 d PD B 2
Cl2S Cl 0.32222(17) 0.34239(12) 0.88192(14) 0.0441(6) Uani 0.483(2) 1 d PD B 2
C61 C 0.3285(2) 0.06926(16) 0.63568(16) 0.0188(6) Uani 1 1 d . . .
H61 H 0.2665 0.0581 0.6093 0.023 Uiso 1 1 calc R A .
C62 C 0.3810(2) 0.09578(18) 0.58468(17) 0.0224(7) Uani 1 1 d . A .
H62A H 0.3521 0.1351 0.5654 0.027 Uiso 1 1 calc R . .
H62B H 0.4445 0.1051 0.6077 0.027 Uiso 1 1 calc R . .
C63 C 0.3810(3) 0.0487(2) 0.52828(19) 0.0294(8) Uani 1 1 d . . .
H63A H 0.3177 0.0424 0.5029 0.035 Uiso 1 1 calc R A .
H63B H 0.4169 0.0656 0.4968 0.035 Uiso 1 1 calc R . .
C64 C 0.4210(3) -0.0136(2) 0.5556(2) 0.0349(10) Uani 1 1 d . A .
H64A H 0.4864 -0.0083 0.5763 0.042 Uiso 1 1 calc R . .
H64B H 0.4160 -0.0437 0.5181 0.042 Uiso 1 1 calc R . .
C65 C 0.3716(3) -0.0397(2) 0.6083(2) 0.0320(8) Uani 1 1 d . . .
H65A H 0.4017 -0.0786 0.6275 0.038 Uiso 1 1 calc R A .
H65B H 0.3078 -0.0496 0.5866 0.038 Uiso 1 1 calc R . .
C66 C 0.3727(3) 0.00775(18) 0.66482(19) 0.0252(7) Uani 1 1 d . A .
H66A H 0.4364 0.0156 0.6886 0.030 Uiso 1 1 calc R . .
H66B H 0.3391 -0.0093 0.6977 0.030 Uiso 1 1 calc R . .
C71 C 0.1441(2) 0.16113(16) 0.54119(16) 0.0185(6) Uani 1 1 d . . .
H71 H 0.1851 0.1243 0.5526 0.022 Uiso 1 1 calc R . .
C72 C 0.1779(3) 0.19500(19) 0.48501(17) 0.0243(7) Uani 1 1 d . . .
H72A H 0.2413 0.2092 0.5020 0.029 Uiso 1 1 calc R . .
H72B H 0.1396 0.2321 0.4709 0.029 Uiso 1 1 calc R . .
C73 C 0.1743(3) 0.1517(2) 0.42424(18) 0.0309(8) Uani 1 1 d . . .
H73A H 0.1913 0.1754 0.3870 0.037 Uiso 1 1 calc R . .
H73B H 0.2190 0.1176 0.4369 0.037 Uiso 1 1 calc R . .
C74 C 0.0799(3) 0.1240(2) 0.4002(2) 0.0377(10) Uani 1 1 d . . .
H74A H 0.0810 0.0944 0.3630 0.045 Uiso 1 1 calc R . .
H74B H 0.0364 0.1577 0.3825 0.045 Uiso 1 1 calc R . .
C75 C 0.0472(3) 0.0900(2) 0.4569(2) 0.0362(10) Uani 1 1 d . . .
H75A H 0.0873 0.0539 0.4720 0.043 Uiso 1 1 calc R . .
H75B H -0.0153 0.0741 0.4400 0.043 Uiso 1 1 calc R . .
C76 C 0.0480(3) 0.1338(2) 0.51663(19) 0.0283(8) Uani 1 1 d . . .
H76A H 0.0298 0.1106 0.5537 0.034 Uiso 1 1 calc R . .
H76B H 0.0038 0.1679 0.5028 0.034 Uiso 1 1 calc R . .
C81 C 0.1398(2) 0.28924(16) 0.60242(16) 0.0182(6) Uani 1 1 d . . .
H81 H 0.1855 0.3035 0.5764 0.022 Uiso 1 1 calc R . .
C82 C 0.0432(2) 0.30164(17) 0.56032(17) 0.0211(6) Uani 1 1 d . . .
H82A H 0.0350 0.2790 0.5170 0.025 Uiso 1 1 calc R . .
H82B H -0.0025 0.2858 0.5848 0.025 Uiso 1 1 calc R . .
C83 C 0.0281(3) 0.37132(19) 0.5467(2) 0.0294(8) Uani 1 1 d . . .
H83A H 0.0711 0.3865 0.5196 0.035 Uiso 1 1 calc R . .
H83B H -0.0346 0.3782 0.5204 0.035 Uiso 1 1 calc R . .
C84 C 0.0419(3) 0.40823(19) 0.6123(2) 0.0329(9) Uani 1 1 d . . .
H84A H 0.0350 0.4533 0.6022 0.039 Uiso 1 1 calc R . .
H84B H -0.0049 0.3961 0.6376 0.039 Uiso 1 1 calc R . .
C85 C 0.1365(3) 0.39559(18) 0.6551(2) 0.0334(9) Uani 1 1 d . . .
H85A H 0.1432 0.4178 0.6985 0.040 Uiso 1 1 calc R . .
H85B H 0.1829 0.4122 0.6317 0.040 Uiso 1 1 calc R . .
C86 C 0.1538(3) 0.32614(17) 0.66871(19) 0.0240(7) Uani 1 1 d . . .
H86A H 0.1117 0.3103 0.6962 0.029 Uiso 1 1 calc R . .
H86B H 0.2169 0.3200 0.6945 0.029 Uiso 1 1 calc R . .
P1S P 0.85789(6) 0.16033(4) 0.97786(4) 0.01992(17) Uani 1 1 d . . .
F1S F 0.92115(19) 0.11337(13) 1.02809(12) 0.0395(6) Uani 1 1 d . . .
F2S F 0.79556(18) 0.20735(12) 0.92695(12) 0.0371(6) Uani 1 1 d . . .
F3S F 0.77016(17) 0.13623(12) 1.00323(13) 0.0348(5) Uani 1 1 d . . .
F4S F 0.94568(17) 0.18521(12) 0.95235(13) 0.0348(5) Uani 1 1 d . . .
F5S F 0.87346(17) 0.21303(12) 1.03566(12) 0.0325(5) Uani 1 1 d . . .
F6S F 0.84289(17) 0.10768(11) 0.92045(12) 0.0313(5) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P2 Au1 P4 172.98(3) . . ?
P2 Au1 Rh1 94.95(2) . . ?
P4 Au1 Rh1 91.40(2) . . ?
C3 Rh1 P3 90.98(11) . . ?
C3 Rh1 P1 92.30(11) . . ?
P3 Rh1 P1 175.41(3) . . ?
C3 Rh1 Cl1 171.67(12) . . ?
P3 Rh1 Cl1 88.73(3) . . ?
P1 Rh1 Cl1 88.49(3) . . ?
C3 Rh1 Au1 91.20(12) . . ?
P3 Rh1 Au1 93.13(2) . . ?
P1 Rh1 Au1 90.01(2) . . ?
Cl1 Rh1 Au1 80.50(2) . . ?
C1 P1 C21 106.21(14) . . ?
C1 P1 C11 104.20(14) . . ?
C21 P1 C11 104.55(14) . . ?
C1 P1 Rh1 112.52(10) . . ?
C21 P1 Rh1 113.22(10) . . ?
C11 P1 Rh1 115.22(11) . . ?
C1 P2 C31 104.73(15) . . ?
C1 P2 C41 106.04(15) . . ?
C31 P2 C41 108.40(16) . . ?
C1 P2 Au1 110.41(10) . . ?
C31 P2 Au1 112.81(12) . . ?
C41 P2 Au1 113.84(10) . . ?
C2 P3 C61 106.50(15) . . ?
C2 P3 C51 105.84(16) . . ?
C61 P3 C51 103.25(17) . . ?
C2 P3 Rh1 110.46(11) . . ?
C61 P3 Rh1 115.44(11) . . ?
C51 P3 Rh1 114.54(12) . . ?
C2 P4 C81 104.41(15) . . ?
C2 P4 C71 105.61(15) . . ?
C81 P4 C71 110.19(15) . . ?
C2 P4 Au1 111.93(10) . . ?
C81 P4 Au1 110.53(11) . . ?
C71 P4 Au1 113.67(11) . . ?
P2 C1 P1 116.46(16) . . ?
P4 C2 P3 115.09(17) . . ?
O1 C3 Rh1 176.1(4) . . ?
C12 C11 C16 110.2(3) . . ?
C12 C11 P1 114.9(2) . . ?
C16 C11 P1 111.1(2) . . ?
C11 C12 C13 110.1(3) . . ?
C12 C13 C14 111.9(3) . . ?
C15 C14 C13 110.4(3) . . ?
C14 C15 C16 111.7(3) . . ?
C15 C16 C11 111.5(3) . . ?
C22 C21 C26 109.8(3) . . ?
C22 C21 P1 117.1(2) . . ?
C26 C21 P1 110.9(2) . . ?
C21 C22 C23 109.3(3) . . ?
C24 C23 C22 111.6(3) . . ?
C25 C24 C23 111.8(3) . . ?
C24 C25 C26 111.7(3) . . ?
C25 C26 C21 110.3(3) . . ?
C32 C31 C36 109.9(3) . . ?
C32 C31 P2 111.7(2) . . ?
C36 C31 P2 109.9(3) . . ?
C33 C32 C31 110.5(3) . . ?
C32 C33 C34 111.4(4) . . ?
C35 C34 C33 110.9(4) . . ?
C34 C35 C36 111.2(4) . . ?
C35 C36 C31 111.1(4) . . ?
C46 C41 C42 110.5(3) . . ?
C46 C41 P2 115.1(2) . . ?
C42 C41 P2 113.5(2) . . ?
C43 C42 C41 110.4(3) . . ?
C44 C43 C42 111.9(3) . . ?
C43 C44 C45 111.3(3) . . ?
C44 C45 C46 111.8(3) . . ?
C41 C46 C45 110.3(3) . . ?
C56A C51 C56 52.0(7) . . ?
C56A C51 C52 122.5(6) . . ?
C56 C51 C52 111.4(3) . . ?
C56A C51 P3 125.6(6) . . ?
C56 C51 P3 116.7(3) . . ?
C52 C51 P3 111.1(2) . . ?
C53 C52 C51 113.1(3) . . ?
C53 C52 C53A 28.1(8) . . ?
C51 C52 C53A 108.2(7) . . ?
C54 C53 C52 109.5(4) . . ?
C53 C54 C55 110.9(4) . . ?
C54 C55 C56 111.3(4) . . ?
C51 C56 C55 110.9(4) . . ?
Cl3S C2S Cl4S 111.9(4) . . ?
C54A C53A C52 115.6(11) . . ?
C55A C54A C53A 112.6(12) . . ?
C54A C55A C56A 111.1(11) . . ?
C51 C56A C55A 117.2(10) . . ?
Cl1S C1S Cl2S 113.5(4) . . ?
C62 C61 C66 109.6(3) . . ?
C62 C61 P3 116.4(2) . . ?
C66 C61 P3 111.5(2) . . ?
C63 C62 C61 110.0(3) . . ?
C64 C63 C62 111.7(3) . . ?
C63 C64 C65 111.3(3) . . ?
C64 C65 C66 110.6(4) . . ?
C65 C66 C61 110.2(3) . . ?
C72 C71 C76 112.1(3) . . ?
C72 C71 P4 114.7(2) . . ?
C76 C71 P4 113.2(2) . . ?
C71 C72 C73 110.6(3) . . ?
C74 C73 C72 111.5(3) . . ?
C73 C74 C75 111.8(3) . . ?
C74 C75 C76 110.7(4) . . ?
C75 C76 C71 109.9(3) . . ?
C86 C81 C82 109.5(3) . . ?
C86 C81 P4 109.9(2) . . ?
C82 C81 P4 110.5(2) . . ?
C83 C82 C81 110.8(3) . . ?
C84 C83 C82 111.3(3) . . ?
C85 C84 C83 110.1(3) . . ?
C84 C85 C86 112.3(3) . . ?
C85 C86 C81 110.9(3) . . ?
F1S P1S F2S 179.23(15) . . ?
F1S P1S F3S 90.54(15) . . ?
F2S P1S F3S 90.17(15) . . ?
F1S P1S F6S 89.59(14) . . ?
F2S P1S F6S 90.09(14) . . ?
F3S P1S F6S 90.48(13) . . ?
F1S P1S F4S 89.88(15) . . ?
F2S P1S F4S 89.42(15) . . ?
F3S P1S F4S 179.45(15) . . ?
F6S P1S F4S 89.88(13) . . ?
F1S P1S F5S 90.15(14) . . ?
F2S P1S F5S 90.17(14) . . ?
F3S P1S F5S 89.66(13) . . ?
F6S P1S F5S 179.70(17) . . ?
F4S P1S F5S 89.98(13) . . ?
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
Au1 P2 2.3048(8) . ?
Au1 P4 2.3089(8) . ?
Au1 Rh1 2.9250(4) . ?
Rh1 C3 1.828(4) . ?
Rh1 P3 2.3333(8) . ?
Rh1 P1 2.3402(8) . ?
Rh1 Cl1 2.3749(9) . ?
P1 C1 1.845(3) . ?
P1 C21 1.846(3) . ?
P1 C11 1.869(3) . ?
P2 C1 1.832(3) . ?
P2 C31 1.844(3) . ?
P2 C41 1.846(3) . ?
P3 C2 1.848(3) . ?
P3 C61 1.853(3) . ?
P3 C51 1.853(3) . ?
P4 C2 1.839(3) . ?
P4 C81 1.841(3) . ?
P4 C71 1.848(3) . ?
C3 O1 1.129(5) . ?
C11 C12 1.535(5) . ?
C11 C16 1.535(5) . ?
C12 C13 1.538(5) . ?
C13 C14 1.539(6) . ?
C14 C15 1.525(6) . ?
C15 C16 1.529(5) . ?
C21 C22 1.532(4) . ?
C21 C26 1.543(4) . ?
C22 C23 1.537(5) . ?
C23 C24 1.531(5) . ?
C24 C25 1.529(6) . ?
C25 C26 1.532(5) . ?
C31 C32 1.541(5) . ?
C31 C36 1.543(5) . ?
C32 C33 1.532(5) . ?
C33 C34 1.534(7) . ?
C34 C35 1.519(8) . ?
C35 C36 1.533(6) . ?
C41 C46 1.534(4) . ?
C41 C42 1.539(4) . ?
C42 C43 1.533(5) . ?
C43 C44 1.526(5) . ?
C44 C45 1.534(6) . ?
C45 C46 1.535(5) . ?
C51 C56A 1.482(11) . ?
C51 C56 1.501(5) . ?
C51 C52 1.534(5) . ?
C52 C53 1.518(5) . ?
C52 C53A 1.581(12) . ?
C53 C54 1.517(7) . ?
C54 C55 1.531(6) . ?
C55 C56 1.536(6) . ?
C2S Cl3S 1.727(7) . ?
C2S Cl4S 1.768(7) . ?
C53A C54A 1.528(13) . ?
C54A C55A 1.526(13) . ?
C55A C56A 1.529(12) . ?
C1S Cl1S 1.756(7) . ?
C1S Cl2S 1.756(7) . ?
C61 C62 1.539(5) . ?
C61 C66 1.539(5) . ?
C62 C63 1.528(5) . ?
C63 C64 1.524(6) . ?
C64 C65 1.532(6) . ?
C65 C66 1.532(5) . ?
C71 C72 1.529(5) . ?
C71 C76 1.540(5) . ?
C72 C73 1.538(5) . ?
C73 C74 1.520(6) . ?
C74 C75 1.531(7) . ?
C75 C76 1.533(5) . ?
C81 C86 1.538(5) . ?
C81 C82 1.544(5) . ?
C82 C83 1.530(5) . ?
C83 C84 1.526(6) . ?
C84 C85 1.526(6) . ?
C85 C86 1.529(5) . ?
P1S F1S 1.597(3) . ?
P1S F2S 1.599(3) . ?
P1S F3S 1.600(2) . ?
P1S F6S 1.606(2) . ?
P1S F4S 1.608(3) . ?
P1S F5S 1.612(2) . ?
