#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:57:32 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180162 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/58/7105885.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_7105885
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            'C54 H48 Au Br Cl4 F3 O4 P4 Rh S'
_chemical_formula_weight         1495.45
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 100.659(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.5635(17)
_cell_length_b                   10.8423(10)
_cell_length_c                   28.356(3)
_cell_measurement_reflns_used    9450
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.77
_cell_measurement_theta_min      2.38
_cell_volume                     5910.9(10)
_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, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0523
_diffrn_reflns_av_sigmaI/netI    0.0360
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            122157
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         1.06
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.811
_exptl_absorpt_correction_T_max  0.3944
_exptl_absorpt_correction_T_min  0.3109
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.680
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2936
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         7.178
_refine_diff_density_min         -1.528
_refine_diff_density_rms         0.239
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     760
_refine_ls_number_reflns         17969
_refine_ls_number_restraints     796
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0698
_refine_ls_R_factor_gt           0.0572
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0823P)²+57.7070P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1599
_refine_ls_wR_factor_ref         0.1681
_reflns_number_gt                15054
_reflns_number_total             17969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0CC03261A.TXT
_cod_data_source_block           4
_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        5910.9(9)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7105885
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Br1 Br 1.21837(3) -0.33669(5) 0.22621(2) 0.02061(12) Uani 1 1 d . . .
Rh1 Rh 1.32010(2) -0.20273(4) 0.215925(14) 0.01457(9) Uani 1 1 d . . .
Au1 Au 1.190426(11) -0.06196(2) 0.184461(7) 0.01832(7) Uani 1 1 d . . .
P1 P 1.32509(7) -0.13705(13) 0.29415(5) 0.0143(2) Uani 1 1 d . . .
P2 P 1.18915(8) 0.00436(14) 0.26211(5) 0.0186(3) Uani 1 1 d . C .
P3 P 1.31066(7) -0.28331(14) 0.13938(5) 0.0166(3) Uani 1 1 d . . .
P4 P 1.17422(7) -0.14111(14) 0.10718(5) 0.0177(3) Uani 1 1 d . E .
O1 O 1.4531(2) -0.0776(5) 0.21024(17) 0.0308(10) Uani 1 1 d . . .
C1 C 1.2389(3) -0.0980(6) 0.3075(2) 0.0193(10) Uani 1 1 d . . .
H1A H 1.2122 -0.1749 0.3092 0.023 Uiso 1 1 calc R . .
H1B H 1.2450 -0.0573 0.3392 0.023 Uiso 1 1 calc R . .
C4S C 0.9225(13) 0.445(5) 0.6182(12) 0.17(3) Uani 0.461(5) 1 d PDU A 1
H4S1 H 0.9270 0.5342 0.6111 0.201 Uiso 0.461(5) 1 calc PR A 1
H4S2 H 0.8990 0.4067 0.5880 0.201 Uiso 0.461(5) 1 calc PR A 1
Cl5S Cl 0.8635(4) 0.4373(7) 0.6573(3) 0.078(2) Uani 0.461(5) 1 d PDU A 1
Cl6S Cl 1.0070(3) 0.3870(6) 0.6292(3) 0.072(2) Uani 0.461(5) 1 d PDU A 1
C1S C 1.0595(7) 0.105(2) 0.5926(6) 0.067(6) Uani 0.539(5) 1 d PDU A 2
H1S1 H 1.0371 0.1824 0.5796 0.080 Uiso 0.539(5) 1 calc PR A 2
H1S2 H 1.0269 0.0572 0.6085 0.080 Uiso 0.539(5) 1 calc PR A 2
Cl1S Cl 1.0886(3) 0.0165(5) 0.54753(17) 0.0645(15) Uani 0.539(5) 1 d PDU A 2
Cl2S Cl 1.13726(17) 0.1309(4) 0.63055(19) 0.0640(16) Uani 0.539(5) 1 d PDU A 2
C2 C 1.2212(3) -0.2878(6) 0.1060(2) 0.0224(11) Uani 1 1 d . . .
H2A H 1.1955 -0.3535 0.1196 0.027 Uiso 1 1 calc R . .
H2B H 1.2220 -0.3098 0.0722 0.027 Uiso 1 1 calc R . .
C3 C 1.4003(3) -0.1244(6) 0.2118(2) 0.0219(11) Uani 1 1 d . . .
C11 C 1.3792(3) -0.0041(5) 0.3160(2) 0.0176(10) Uani 1 1 d . . .
C12 C 1.4114(3) 0.0047(6) 0.3643(2) 0.0224(11) Uani 1 1 d . . .
H12 H 1.4064 -0.0601 0.3860 0.027 Uiso 1 1 calc R . .
C13 C 1.4506(3) 0.1083(6) 0.3804(2) 0.0271(12) Uani 1 1 d . . .
H13 H 1.4737 0.1127 0.4129 0.032 Uiso 1 1 calc R . .
C14 C 1.4566(3) 0.2052(6) 0.3496(3) 0.0288(13) Uani 1 1 d . . .
H14 H 1.4825 0.2767 0.3611 0.035 Uiso 1 1 calc R . .
C15 C 1.4241(4) 0.1971(6) 0.3015(3) 0.0296(13) Uani 1 1 d . . .
H15 H 1.4279 0.2632 0.2801 0.036 Uiso 1 1 calc R . .
C16 C 1.3862(3) 0.0920(6) 0.2849(2) 0.0228(11) Uani 1 1 d . . .
H16 H 1.3650 0.0860 0.2520 0.027 Uiso 1 1 calc R . .
C21 C 1.3572(3) -0.2614(5) 0.3356(2) 0.0169(10) Uani 1 1 d . . .
C22 C 1.3300(3) -0.2895(6) 0.3763(2) 0.0233(11) Uani 1 1 d . . .
H22 H 1.2923 -0.2429 0.3838 0.028 Uiso 1 1 calc R . .
C23 C 1.3582(4) -0.3863(7) 0.4062(2) 0.0293(13) Uani 1 1 d . . .
H23 H 1.3390 -0.4065 0.4336 0.035 Uiso 1 1 calc R . .
C24 C 1.4141(4) -0.4529(6) 0.3959(2) 0.0283(13) Uani 1 1 d . . .
H24 H 1.4337 -0.5175 0.4168 0.034 Uiso 1 1 calc R . .
C25 C 1.4414(4) -0.4260(6) 0.3556(3) 0.0287(13) Uani 1 1 d . . .
H25 H 1.4796 -0.4719 0.3486 0.034 Uiso 1 1 calc R . .
C26 C 1.4124(3) -0.3305(6) 0.3250(2) 0.0221(11) Uani 1 1 d . . .
H26 H 1.4305 -0.3129 0.2968 0.026 Uiso 1 1 calc R . .
C31 C 1.2214(3) 0.1581(6) 0.2769(2) 0.0247(12) Uani 1 1 d . . .
C32 C 1.2356(4) 0.2004(7) 0.3243(3) 0.0335(15) Uani 1 1 d . . .
H32 H 1.2266 0.1488 0.3495 0.040 Uiso 1 1 calc R . .
C33 C 1.2627(5) 0.3174(7) 0.3345(3) 0.045(2) Uani 1 1 d . . .
H33 H 1.2720 0.3459 0.3667 0.054 Uiso 1 1 calc R . .
C34 C 1.2767(5) 0.3942(7) 0.2975(3) 0.043(2) Uani 1 1 d . . .
H34 H 1.2956 0.4741 0.3047 0.052 Uiso 1 1 calc R . .
C35 C 1.2627(5) 0.3529(7) 0.2505(3) 0.0390(17) Uani 1 1 d . . .
H35 H 1.2725 0.4044 0.2255 0.047 Uiso 1 1 calc R . .
C36 C 1.2343(4) 0.2358(6) 0.2398(3) 0.0298(14) Uani 1 1 d . . .
H36 H 1.2236 0.2086 0.2074 0.036 Uiso 1 1 calc R . .
C41 C 1.1010(3) 0.0000(6) 0.2736(2) 0.0278(12) Uani 1 1 d DU . .
C44 C 0.9620(4) -0.0056(9) 0.2829(4) 0.061(2) Uani 1 1 d DU . .
H44 H 0.9139 -0.0087 0.2843 0.073 Uiso 1 1 calc R B 1
C42 C 1.0635(5) 0.1099(9) 0.2733(5) 0.054(3) Uani 0.833(11) 1 d PDU C 1
H42 H 1.0857 0.1871 0.2713 0.065 Uiso 0.833(11) 1 calc PR C 1
C43 C 0.9939(5) 0.1048(10) 0.2760(6) 0.070(4) Uani 0.833(11) 1 d PDU C 1
H43 H 0.9674 0.1788 0.2731 0.085 Uiso 0.833(11) 1 calc PR C 1
C45 C 1.0015(5) -0.1104(11) 0.2876(6) 0.059(3) Uani 0.833(11) 1 d PDU C 1
H45 H 0.9816 -0.1858 0.2955 0.071 Uiso 0.833(11) 1 calc PR C 1
C46 C 1.0694(4) -0.1087(9) 0.2812(5) 0.052(3) Uani 0.833(11) 1 d PDU C 1
H46 H 1.0946 -0.1838 0.2820 0.062 Uiso 0.833(11) 1 calc PR C 1
C42A C 1.0481(9) 0.029(6) 0.2350(10) 0.054(8) Uani 0.167(11) 1 d PDU C 2
H42A H 1.0595 0.0621 0.2066 0.064 Uiso 0.167(11) 1 calc PR C 2
C43A C 0.9790(10) 0.008(7) 0.2378(7) 0.065(8) Uani 0.167(11) 1 d PDU C 2
H43A H 0.9442 0.0044 0.2096 0.078 Uiso 0.167(11) 1 calc PR C 2
C45A C 1.0124(10) -0.056(6) 0.3188(12) 0.053(8) Uani 0.167(11) 1 d PDU C 2
H45A H 1.0004 -0.0848 0.3477 0.064 Uiso 0.167(11) 1 calc PR C 2
C46A C 1.0805(11) -0.062(5) 0.3117(13) 0.044(7) Uani 0.167(11) 1 d PDU C 2
H46A H 1.1135 -0.1101 0.3329 0.053 Uiso 0.167(11) 1 calc PR C 2
C51 C 1.3570(3) -0.2046(6) 0.0984(2) 0.0203(11) Uani 1 1 d . . .
C52 C 1.3633(3) -0.0757(6) 0.1009(2) 0.0245(12) Uani 1 1 d . . .
H52 H 1.3458 -0.0312 0.1250 0.029 Uiso 1 1 calc R . .
C53 C 1.3956(4) -0.0129(8) 0.0679(2) 0.0325(15) Uani 1 1 d . . .
H53 H 1.3999 0.0743 0.0694 0.039 Uiso 1 1 calc R . .
C54 C 1.4211(4) -0.0784(9) 0.0331(3) 0.0394(18) Uani 1 1 d . . .
H54 H 1.4425 -0.0351 0.0105 0.047 Uiso 1 1 calc R . .
C55 C 1.4162(4) -0.2032(9) 0.0304(2) 0.0376(17) Uani 1 1 d . . .
H55 H 1.4352 -0.2463 0.0066 0.045 Uiso 1 1 calc R . .
C56 C 1.3831(3) -0.2691(7) 0.0627(2) 0.0292(13) Uani 1 1 d . . .
H56 H 1.3784 -0.3562 0.0603 0.035 Uiso 1 1 calc R . .
C61 C 1.3396(3) -0.4435(6) 0.1417(2) 0.0214(11) Uani 1 1 d . . .
C62 C 1.3057(4) -0.5382(7) 0.1135(3) 0.0375(17) Uani 1 1 d . . .
H62 H 1.2658 -0.5206 0.0898 0.045 Uiso 1 1 calc R . .
C63 C 1.3302(4) -0.6586(7) 0.1198(3) 0.046(2) Uani 1 1 d . . .
H63 H 1.3057 -0.7229 0.1011 0.055 Uiso 1 1 calc R . .
C64 C 1.3888(4) -0.6862(7) 0.1524(3) 0.0361(16) Uani 1 1 d . . .
H64 H 1.4054 -0.7686 0.1559 0.043 Uiso 1 1 calc R . .
C65 C 1.4238(4) -0.5925(7) 0.1806(3) 0.0301(13) Uani 1 1 d . . .
H65 H 1.4648 -0.6110 0.2032 0.036 Uiso 1 1 calc R . .
C66 C 1.3993(3) -0.4720(6) 0.1759(2) 0.0250(12) Uani 1 1 d . . .
H66 H 1.4227 -0.4089 0.1959 0.030 Uiso 1 1 calc R . .
C71 C 1.1952(3) -0.0421(6) 0.0609(2) 0.0233(11) Uani 1 1 d . . .
C72 C 1.1931(3) 0.0851(6) 0.0676(2) 0.0264(12) Uani 1 1 d . . .
H72 H 1.1844 0.1178 0.0970 0.032 Uiso 1 1 calc R . .
C73 C 1.2040(4) 0.1642(7) 0.0309(3) 0.0333(15) Uani 1 1 d . . .
H73 H 1.2022 0.2509 0.0353 0.040 Uiso 1 1 calc R . .
C74 C 1.2175(4) 0.1176(8) -0.0114(3) 0.0380(17) Uani 1 1 d . . .
H74 H 1.2255 0.1723 -0.0360 0.046 Uiso 1 1 calc R . .
C75 C 1.2194(4) -0.0086(9) -0.0185(3) 0.0375(17) Uani 1 1 d . . .
H75 H 1.2280 -0.0401 -0.0481 0.045 Uiso 1 1 calc R . .
C76 C 1.2088(4) -0.0891(7) 0.0175(2) 0.0311(14) Uani 1 1 d . . .
H76 H 1.2107 -0.1756 0.0127 0.037 Uiso 1 1 calc R . .
C81 C 1.0841(3) -0.1861(6) 0.0871(2) 0.0292(13) Uani 1 1 d DU . .
C82 C 1.0448(3) -0.1490(9) 0.0439(3) 0.0428(18) Uani 1 1 d DU E .
H82 H 1.0621 -0.0936 0.0230 0.051 Uiso 1 1 calc R D 1
C83 C 0.9776(10) -0.198(4) 0.0331(10) 0.062(7) Uani 0.43(4) 1 d PDU E 1
H83 H 0.9555 -0.2071 0.0005 0.075 Uiso 0.43(4) 1 calc PR E 1
C83A C 0.9747(8) -0.172(3) 0.0304(9) 0.053(5) Uani 0.57(4) 1 d PDU E 2
H83A H 0.9465 -0.1249 0.0058 0.064 Uiso 0.57(4) 1 calc PR E 2
C84 C 0.9425(9) -0.235(3) 0.0692(12) 0.063(7) Uani 0.43(4) 1 d PDU E 1
H84 H 0.8931 -0.2393 0.0635 0.076 Uiso 0.43(4) 1 calc PR E 1
C84A C 0.9469(8) -0.2658(15) 0.0542(7) 0.039(4) Uani 0.57(4) 1 d PDU E 2
H84A H 0.9014 -0.2963 0.0425 0.047 Uiso 0.57(4) 1 calc PR E 2
C85 C 0.9813(9) -0.265(4) 0.1137(11) 0.058(6) Uani 0.43(4) 1 d PDU E 1
H85 H 0.9615 -0.3091 0.1368 0.069 Uiso 0.43(4) 1 calc PR E 1
C85A C 0.9871(8) -0.314(2) 0.0953(10) 0.056(7) Uani 0.57(4) 1 d PD E 2
H85A H 0.9679 -0.3761 0.1126 0.067 Uiso 0.57(4) 1 calc PR E 2
C86 C 1.0504(8) -0.227(3) 0.1234(7) 0.039(5) Uani 0.43(4) 1 d PDU E 1
H86 H 1.0753 -0.2297 0.1555 0.046 Uiso 0.43(4) 1 calc PR E 1
C86A C 1.0546(8) -0.274(2) 0.1120(8) 0.050(5) Uani 0.57(4) 1 d PDU E 2
H86A H 1.0806 -0.3078 0.1407 0.060 Uiso 0.57(4) 1 calc PR E 2
S1S S 1.22513(11) -0.0357(2) 0.45900(6) 0.0367(4) Uani 1 1 d . . .
Cl4S Cl 1.38240(12) 0.2173(2) -0.03147(9) 0.0506(5) Uani 1 1 d DU . .
Cl3S Cl 1.45634(17) 0.3788(5) 0.04087(14) 0.1035(15) Uani 1 1 d DU . .
O3S O 1.2521(4) -0.0988(10) 0.5000(3) 0.081(3) Uani 1 1 d . . .
F3S F 1.1655(6) -0.2203(8) 0.4147(4) 0.110(3) Uani 1 1 d . . .
C3S C 1.3815(5) 0.3615(9) -0.0037(3) 0.053(2) Uani 1 1 d DU . .
H3S1 H 1.3394 0.3688 0.0109 0.064 Uiso 1 1 calc R . .
H3S2 H 1.3799 0.4277 -0.0280 0.064 Uiso 1 1 calc R . .
F2S F 1.1045(4) -0.1222(13) 0.4604(5) 0.146(5) Uani 1 1 d . . .
F1S F 1.1123(8) -0.0419(10) 0.3957(6) 0.226(10) Uani 1 1 d . . .
O2S O 1.2704(6) -0.0307(10) 0.4242(3) 0.090(3) Uani 1 1 d . . .
O1S O 1.2053(6) 0.0868(10) 0.4685(6) 0.140(6) Uani 1 1 d . . .
C2S C 1.1510(6) -0.1074(11) 0.4297(4) 0.062(3) 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'
S S 0.1246 0.1234 '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'
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'
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
_geom_angle_publ_flag
C3 Rh1 P1 91.94(18) . . ?
C3 Rh1 P3 92.10(19) . . ?
P1 Rh1 P3 175.21(5) . . ?
C3 Rh1 Br1 172.2(2) . . ?
P1 Rh1 Br1 87.75(4) . . ?
P3 Rh1 Br1 87.90(4) . . ?
C3 Rh1 Au1 116.5(2) . . ?
P1 Rh1 Au1 90.69(4) . . ?
P3 Rh1 Au1 89.81(4) . . ?
Br1 Rh1 Au1 71.381(18) . . ?
P4 Au1 P2 170.83(5) . . ?
P4 Au1 Rh1 93.09(4) . . ?
P2 Au1 Rh1 91.88(4) . . ?
C21 P1 C11 104.9(2) . . ?
C21 P1 C1 104.9(3) . . ?
C11 P1 C1 104.1(3) . . ?
C21 P1 Rh1 109.80(19) . . ?
C11 P1 Rh1 119.12(19) . . ?
C1 P1 Rh1 112.88(19) . . ?
C31 P2 C41 106.6(3) . . ?
C31 P2 C1 106.2(3) . . ?
C41 P2 C1 104.9(3) . . ?
C31 P2 Au1 116.3(2) . . ?
C41 P2 Au1 109.9(2) . . ?
C1 P2 Au1 112.33(19) . . ?
C51 P3 C61 106.4(3) . . ?
C51 P3 C2 103.0(3) . . ?
C61 P3 C2 104.7(3) . . ?
C51 P3 Rh1 117.4(2) . . ?
C61 P3 Rh1 110.8(2) . . ?
C2 P3 Rh1 113.5(2) . . ?
C71 P4 C81 105.6(3) . . ?
C71 P4 C2 108.7(3) . . ?
C81 P4 C2 102.8(3) . . ?
C71 P4 Au1 117.3(2) . . ?
C81 P4 Au1 110.6(2) . . ?
C2 P4 Au1 110.8(2) . . ?
P2 C1 P1 112.5(3) . . ?
Cl5S C4S Cl6S 125.9(14) . . ?
Cl2S C1S Cl1S 100.1(8) . . ?
P3 C2 P4 113.6(3) . . ?
O1 C3 Rh1 177.5(6) . . ?
C16 C11 C12 119.4(5) . . ?
C16 C11 P1 119.7(4) . . ?
C12 C11 P1 120.8(4) . . ?
C13 C12 C11 119.8(6) . . ?
C14 C13 C12 120.9(6) . . ?
C13 C14 C15 119.4(6) . . ?
C16 C15 C14 119.9(6) . . ?
C11 C16 C15 120.6(6) . . ?
C26 C21 C22 119.5(5) . . ?
C26 C21 P1 116.6(4) . . ?
C22 C21 P1 123.9(4) . . ?
C21 C22 C23 119.9(6) . . ?
C24 C23 C22 120.2(6) . . ?
C25 C24 C23 120.3(6) . . ?
C24 C25 C26 119.7(6) . . ?
C21 C26 C25 120.3(6) . . ?
C32 C31 C36 119.4(6) . . ?
C32 C31 P2 121.7(5) . . ?
C36 C31 P2 118.9(5) . . ?
C33 C32 C31 120.1(7) . . ?
C32 C33 C34 120.5(7) . . ?
C35 C34 C33 119.8(7) . . ?
C34 C35 C36 120.2(7) . . ?
C35 C36 C31 120.1(7) . . ?
C46 C41 C46A 42(2) . . ?
C46 C41 C42A 91(2) . . ?
C46A C41 C42A 115.9(14) . . ?
C46 C41 C42 118.9(7) . . ?
C46A C41 C42 101(2) . . ?
C42A C41 C42 60(3) . . ?
C46 C41 P2 121.5(5) . . ?
C46A C41 P2 124.8(9) . . ?
C42A C41 P2 116.5(10) . . ?
C42 C41 P2 119.5(6) . . ?
C45 C44 C43 118.2(8) . . ?
C45 C44 C43A 87(3) . . ?
C43 C44 C43A 65(3) . . ?
C45 C44 C45A 45(3) . . ?
C43 C44 C45A 99(2) . . ?
C43A C44 C45A 117.3(16) . . ?
C43 C42 C41 119.2(9) . . ?
C42 C43 C44 121.2(9) . . ?
C44 C45 C46 121.3(9) . . ?
C41 C46 C45 120.5(9) . . ?
C43A C42A C41 120.8(16) . . ?
C42A C43A C44 118.2(18) . . ?
C46A C45A C44 119.1(16) . . ?
C45A C46A C41 120.5(17) . . ?
C56 C51 C52 119.5(6) . . ?
C56 C51 P3 121.3(5) . . ?
C52 C51 P3 119.1(5) . . ?
C53 C52 C51 119.8(6) . . ?
C54 C53 C52 119.7(7) . . ?
C55 C54 C53 121.4(7) . . ?
C54 C55 C56 120.3(7) . . ?
C51 C56 C55 119.3(7) . . ?
C62 C61 C66 118.7(6) . . ?
C62 C61 P3 124.8(5) . . ?
C66 C61 P3 116.5(5) . . ?
C63 C62 C61 120.2(6) . . ?
C64 C63 C62 121.3(7) . . ?
C63 C64 C65 119.5(7) . . ?
C66 C65 C64 120.4(6) . . ?
C65 C66 C61 120.1(6) . . ?
C72 C71 C76 119.5(6) . . ?
C72 C71 P4 118.4(5) . . ?
C76 C71 P4 122.0(5) . . ?
C73 C72 C71 119.7(7) . . ?
C74 C73 C72 120.4(7) . . ?
C73 C74 C75 120.4(7) . . ?
C74 C75 C76 120.3(7) . . ?
C75 C76 C71 119.7(7) . . ?
C86A C81 C82 116.1(8) . . ?
C86A C81 C86 25.7(10) . . ?
C82 C81 C86 119.1(9) . . ?
C86A C81 P4 120.0(7) . . ?
C82 C81 P4 123.4(5) . . ?
C86 C81 P4 114.7(9) . . ?
C83A C82 C81 124.0(10) . . ?
C83A C82 C83 13(2) . . ?
C81 C82 C83 115.5(12) . . ?
C84 C83 C82 121.3(17) . . ?
C82 C83A C84A 117.0(13) . . ?
C85 C84 C83 118.3(15) . . ?
C85A C84A C83A 118.4(11) . . ?
C84 C85 C86 117.4(14) . . ?
C84A C85A C86A 121.8(12) . . ?
C85 C86 C81 121.6(14) . . ?
C81 C86A C85A 120.3(11) . . ?
O3S S1S O1S 112.5(9) . . ?
O3S S1S O2S 114.2(6) . . ?
O1S S1S O2S 108.5(8) . . ?
O3S S1S C2S 110.1(6) . . ?
O1S S1S C2S 106.2(6) . . ?
O2S S1S C2S 104.8(6) . . ?
Cl4S C3S Cl3S 110.0(5) . . ?
F1S C2S F3S 112.6(12) . . ?
F1S C2S F2S 99.6(14) . . ?
F3S C2S F2S 107.2(12) . . ?
F1S C2S S1S 115.4(10) . . ?
F3S C2S S1S 110.9(9) . . ?
F2S C2S S1S 110.2(8) . . ?
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
Br1 Rh1 2.5238(7) . ?
Rh1 C3 1.807(6) . ?
Rh1 P1 2.3145(14) . ?
Rh1 P3 2.3152(14) . ?
Rh1 Au1 2.9537(5) . ?
Au1 P4 2.3199(15) . ?
Au1 P2 2.3206(15) . ?
P1 C21 1.822(6) . ?
P1 C11 1.827(6) . ?
P1 C1 1.844(6) . ?
P2 C31 1.804(7) . ?
P2 C41 1.815(6) . ?
P2 C1 1.836(6) . ?
P3 C51 1.813(6) . ?
P3 C61 1.824(6) . ?
P3 C2 1.830(6) . ?
P4 C71 1.800(7) . ?
P4 C81 1.816(6) . ?
P4 C2 1.841(6) . ?
O1 C3 1.160(8) . ?
C4S Cl5S 1.742(15) . ?
C4S Cl6S 1.744(14) . ?
C1S Cl2S 1.717(12) . ?
C1S Cl1S 1.772(13) . ?
C11 C16 1.388(8) . ?
C11 C12 1.401(8) . ?
C12 C13 1.390(9) . ?
C13 C14 1.384(10) . ?
C14 C15 1.398(10) . ?
C15 C16 1.393(9) . ?
C21 C26 1.392(8) . ?
C21 C22 1.392(8) . ?
C22 C23 1.396(9) . ?
C23 C24 1.386(10) . ?
C24 C25 1.381(9) . ?
C25 C26 1.401(8) . ?
C31 C32 1.398(9) . ?
C31 C36 1.407(9) . ?
C32 C33 1.385(11) . ?
C33 C34 1.404(12) . ?
C34 C35 1.385(12) . ?
C35 C36 1.397(10) . ?
C41 C46 1.367(10) . ?
C41 C46A 1.394(13) . ?
C41 C42A 1.394(13) . ?
C41 C42 1.398(9) . ?
C44 C45 1.366(11) . ?
C44 C43 1.381(11) . ?
C44 C43A 1.388(14) . ?
C44 C45A 1.390(14) . ?
C42 C43 1.378(10) . ?
C45 C46 1.373(10) . ?
C42A C43A 1.385(14) . ?
C45A C46A 1.385(14) . ?
C51 C56 1.402(9) . ?
C51 C52 1.404(9) . ?
C52 C53 1.399(9) . ?
C53 C54 1.382(11) . ?
C54 C55 1.358(13) . ?
C55 C56 1.411(10) . ?
C61 C62 1.392(9) . ?
C61 C66 1.408(8) . ?
C62 C63 1.390(10) . ?
C63 C64 1.366(10) . ?
C64 C65 1.392(10) . ?
C65 C66 1.390(9) . ?
C71 C72 1.394(9) . ?
C71 C76 1.403(9) . ?
C72 C73 1.393(9) . ?
C73 C74 1.372(12) . ?
C74 C75 1.384(13) . ?
C75 C76 1.386(11) . ?
C81 C86A 1.376(11) . ?
C81 C82 1.379(8) . ?
C81 C86 1.396(12) . ?
C82 C83A 1.377(12) . ?
C82 C83 1.401(13) . ?
C83 C84 1.391(14) . ?
C83A C84A 1.390(13) . ?
C84 C85 1.387(13) . ?
C84A C85A 1.381(12) . ?
C85 C86 1.390(12) . ?
C85A C86A 1.388(11) . ?
S1S O3S 1.367(7) . ?
S1S O1S 1.424(10) . ?
S1S O2S 1.443(9) . ?
S1S C2S 1.718(11) . ?
Cl4S C3S 1.752(8) . ?
Cl3S C3S 1.759(8) . ?
F3S C2S 1.344(14) . ?
F2S C2S 1.380(15) . ?
F1S C2S 1.319(15) . ?
