#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:32:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179115 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/77/4307704.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_4307704
loop_
_publ_author_name
'Arthur J. Esswein'
'Jillian L. Dempsey'
'Daniel G. Nocera'
_publ_section_title
;
A RhII-AuII Bimetallic Core with a Direct Metal-Metal Bond
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2362
_journal_page_last               2364
_journal_paper_doi               10.1021/ic062203f
_journal_volume                  46
_journal_year                    2007
_chemical_formula_sum            'C28 H40 Au Cl2 F24 N4 O8 P4 Rh'
_chemical_formula_weight         1511.30
_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                 116.4540(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   23.5341(13)
_cell_length_b                   10.8576(6)
_cell_length_c                   22.7690(12)
_cell_measurement_reflns_used    8937
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.56
_cell_volume                     5208.8(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  '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  0.0382
_diffrn_reflns_av_sigmaI/netI    0.0467
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            36938
_diffrn_reflns_theta_full        28.27
_diffrn_reflns_theta_max         28.27
_diffrn_reflns_theta_min         0.97
_exptl_absorpt_coefficient_mu    3.487
_exptl_absorpt_correction_T_max  .670
_exptl_absorpt_correction_T_min  .555
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.927
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       shard
_exptl_crystal_F_000             2936
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.606
_refine_diff_density_min         -1.302
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     657
_refine_ls_number_reflns         12896
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0445
_refine_ls_R_factor_gt           0.0334
_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)+(0.0330P)²+7.4283P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0757
_refine_ls_wR_factor_ref         0.0827
_reflns_number_gt                10761
_reflns_number_total             12896
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062203fsi20061119_025119_2.cif
_cod_data_source_block           c05036t
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' 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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4307704
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
Au1 Au 0.282517(7) -0.116489(12) 0.764435(7) 0.01889(4) Uani 1 1 d . . .
Rh1 Rh 0.250364(13) 0.13214(2) 0.730214(14) 0.01703(6) Uani 1 1 d . . .
Cl1 Cl 0.38903(4) -0.15002(8) 0.75256(5) 0.02619(19) Uani 1 1 d . . .
Cl2 Cl 0.22763(5) 0.36773(8) 0.71803(5) 0.0273(2) Uani 1 1 d . . .
P1 P 0.32115(5) -0.08823(9) 0.87437(5) 0.02047(19) Uani 1 1 d . . .
P2 P 0.20916(5) -0.19429(8) 0.66748(5) 0.01981(19) Uani 1 1 d . . .
P3 P 0.27808(4) 0.16527(8) 0.84007(5) 0.01906(19) Uani 1 1 d . . .
P4 P 0.21299(5) 0.05885(8) 0.62677(5) 0.02034(19) Uani 1 1 d . . .
O1 O 0.39586(13) -0.0979(2) 0.92166(14) 0.0274(6) Uani 1 1 d . . .
O2 O 0.29637(13) -0.1788(2) 0.91439(13) 0.0278(6) Uani 1 1 d . . .
O3 O 0.22986(13) -0.2981(2) 0.63021(13) 0.0258(6) Uani 1 1 d . . .
O4 O 0.14155(13) -0.2480(2) 0.65899(14) 0.0274(6) Uani 1 1 d . . .
O5 O 0.32269(13) 0.2814(2) 0.87793(13) 0.0240(6) Uani 1 1 d . . .
O6 O 0.21928(12) 0.1996(2) 0.85543(13) 0.0243(6) Uani 1 1 d . . .
O7 O 0.25460(14) 0.0676(2) 0.58663(13) 0.0271(6) Uani 1 1 d . . .
O8 O 0.15084(14) 0.1291(2) 0.57407(14) 0.0278(6) Uani 1 1 d . . .
C1 C 0.3232(2) 0.0779(4) 0.96519(19) 0.0281(8) Uani 1 1 d . . .
H1A H 0.3393 0.1622 0.9767 0.042 Uiso 1 1 calc R . .
H1B H 0.3555 0.0197 0.9939 0.042 Uiso 1 1 calc R . .
H1C H 0.2845 0.0684 0.9708 0.042 Uiso 1 1 calc R . .
C2 C 0.1374(2) -0.1179(4) 0.54114(19) 0.0311(9) Uani 1 1 d . . .
H2A H 0.1391 -0.2070 0.5352 0.047 Uiso 1 1 calc R . .
H2B H 0.1498 -0.0746 0.5109 0.047 Uiso 1 1 calc R . .
H2C H 0.0941 -0.0941 0.5321 0.047 Uiso 1 1 calc R . .
C3 C 0.33844(18) 0.1533(3) 0.74114(19) 0.0203(7) Uani 1 1 d . . .
C4 C 0.45524(18) 0.1943(3) 0.7603(2) 0.0253(8) Uani 1 1 d . . .
C5 C 0.4681(2) 0.3316(4) 0.7729(3) 0.0367(10) Uani 1 1 d . . .
H5A H 0.4365 0.3783 0.7360 0.055 Uiso 1 1 calc R . .
H5B H 0.5106 0.3505 0.7776 0.055 Uiso 1 1 calc R . .
H5C H 0.4655 0.3544 0.8133 0.055 Uiso 1 1 calc R . .
C6 C 0.4980(2) 0.1192(4) 0.8198(2) 0.0373(10) Uani 1 1 d . . .
H6A H 0.4930 0.1474 0.8582 0.056 Uiso 1 1 calc R . .
H6B H 0.5422 0.1297 0.8280 0.056 Uiso 1 1 calc R . .
H6C H 0.4863 0.0320 0.8118 0.056 Uiso 1 1 calc R . .
C7 C 0.4612(2) 0.1554(4) 0.6991(2) 0.0380(11) Uani 1 1 d . . .
H7A H 0.4503 0.0680 0.6903 0.057 Uiso 1 1 calc R . .
H7B H 0.5049 0.1685 0.7059 0.057 Uiso 1 1 calc R . .
H7C H 0.4321 0.2046 0.6616 0.057 Uiso 1 1 calc R . .
C8 C 0.16360(17) 0.0968(3) 0.71846(18) 0.0201(7) Uani 1 1 d . . .
C9 C 0.04518(18) 0.0540(4) 0.6901(2) 0.0273(8) Uani 1 1 d . . .
C10 C 0.0428(2) -0.0317(5) 0.7418(2) 0.0396(11) Uani 1 1 d . . .
H10A H 0.0657 -0.1079 0.7433 0.059 Uiso 1 1 calc R . .
H10B H -0.0015 -0.0512 0.7307 0.059 Uiso 1 1 calc R . .
H10C H 0.0626 0.0087 0.7848 0.059 Uiso 1 1 calc R . .
C11 C 0.0183(2) -0.0053(4) 0.6222(2) 0.0356(10) Uani 1 1 d . . .
H11A H 0.0258 0.0489 0.5920 0.053 Uiso 1 1 calc R . .
H11B H -0.0275 -0.0183 0.6059 0.053 Uiso 1 1 calc R . .
H11C H 0.0392 -0.0847 0.6251 0.053 Uiso 1 1 calc R . .
C12 C 0.0134(2) 0.1771(5) 0.6890(3) 0.0432(12) Uani 1 1 d . . .
H12A H 0.0355 0.2171 0.7319 0.065 Uiso 1 1 calc R . .
H12B H -0.0311 0.1632 0.6791 0.065 Uiso 1 1 calc R . .
H12C H 0.0155 0.2302 0.6552 0.065 Uiso 1 1 calc R . .
C13 C 0.42763(19) -0.2087(4) 0.9197(2) 0.0273(8) Uani 1 1 d . . .
H13A H 0.4161 -0.2322 0.8738 0.033 Uiso 1 1 calc R . .
H13B H 0.4158 -0.2769 0.9410 0.033 Uiso 1 1 calc R . .
C14 C 0.4980(2) -0.1823(4) 0.9564(2) 0.0339(10) Uani 1 1 d . . .
C15 C 0.2369(2) -0.2407(4) 0.8823(2) 0.0354(10) Uani 1 1 d . . .
H15A H 0.2427 -0.3295 0.8932 0.042 Uiso 1 1 calc R . .
H15B H 0.2203 -0.2320 0.8342 0.042 Uiso 1 1 calc R . .
C16 C 0.1906(2) -0.1872(5) 0.9036(3) 0.0471(12) Uani 1 1 d . . .
C17 C 0.28347(19) -0.3784(3) 0.6652(2) 0.0247(8) Uani 1 1 d . . .
H17A H 0.2726 -0.4415 0.6900 0.030 Uiso 1 1 calc R . .
H17B H 0.3203 -0.3304 0.6965 0.030 Uiso 1 1 calc R . .
C18 C 0.2987(2) -0.4380(4) 0.6150(2) 0.0354(10) Uani 1 1 d . . .
C19 C 0.1298(3) -0.3735(4) 0.6611(4) 0.0616(18) Uani 1 1 d . . .
H19A H 0.1703 -0.4164 0.6879 0.074 Uiso 1 1 calc R . .
H19B H 0.1120 -0.4077 0.6161 0.074 Uiso 1 1 calc R . .
C20 C 0.0859(2) -0.3961(4) 0.6887(3) 0.0362(10) Uani 1 1 d . . .
C21 C 0.36539(19) 0.3378(3) 0.8575(2) 0.0251(8) Uani 1 1 d . . .
H21A H 0.3467 0.3401 0.8090 0.030 Uiso 1 1 calc R . .
H21B H 0.4057 0.2911 0.8744 0.030 Uiso 1 1 calc R . .
C22 C 0.3771(2) 0.4668(4) 0.8851(2) 0.0335(10) Uani 1 1 d . . .
C23 C 0.1899(2) 0.3184(4) 0.8404(2) 0.0297(9) Uani 1 1 d . . .
H23A H 0.1606 0.3245 0.7930 0.036 Uiso 1 1 calc R . .
H23B H 0.2224 0.3838 0.8518 0.036 Uiso 1 1 calc R . .
C24 C 0.1543(2) 0.3318(4) 0.8800(2) 0.0363(10) Uani 1 1 d . . .
C25 C 0.3050(2) -0.0170(4) 0.5988(2) 0.0315(9) Uani 1 1 d . . .
H25A H 0.2900 -0.1027 0.5973 0.038 Uiso 1 1 calc R . .
H25B H 0.3406 -0.0019 0.6426 0.038 Uiso 1 1 calc R . .
C26 C 0.3261(2) 0.0026(4) 0.5462(2) 0.0384(11) Uani 1 1 d . . .
C27 C 0.1540(2) 0.2575(4) 0.5610(2) 0.0332(10) Uani 1 1 d . . .
H27A H 0.1726 0.2690 0.5300 0.040 Uiso 1 1 calc R . .
H27B H 0.1804 0.3023 0.6021 0.040 Uiso 1 1 calc R . .
C28 C 0.0874(3) 0.3035(4) 0.5318(3) 0.0469(13) Uani 1 1 d . . .
N1 N 0.30872(15) 0.0528(3) 0.89541(15) 0.0202(6) Uani 1 1 d . . .
N2 N 0.18201(15) -0.0841(3) 0.61031(15) 0.0212(6) Uani 1 1 d . . .
N3 N 0.38914(15) 0.1715(3) 0.74812(16) 0.0223(7) Uani 1 1 d . . .
N4 N 0.11238(15) 0.0788(3) 0.70867(16) 0.0234(7) Uani 1 1 d . . .
F1 F 0.51580(13) -0.0900(3) 0.93111(15) 0.0501(7) Uani 1 1 d . . .
F2 F 0.51656(13) -0.1578(3) 1.01949(13) 0.0482(7) Uani 1 1 d . . .
F3 F 0.53007(13) -0.2827(3) 0.95337(16) 0.0544(8) Uani 1 1 d . . .
F4 F 0.21017(17) -0.2012(4) 0.96787(16) 0.0707(10) Uani 1 1 d . . .
F5 F 0.18125(16) -0.0674(3) 0.8907(2) 0.0842(13) Uani 1 1 d . . .
F6 F 0.13547(15) -0.2442(4) 0.87424(18) 0.0729(10) Uani 1 1 d . . .
F7 F 0.34560(15) -0.5193(3) 0.64380(15) 0.0577(8) Uani 1 1 d . . .
F8 F 0.31798(14) -0.3571(3) 0.58354(15) 0.0488(7) Uani 1 1 d . . .
F9 F 0.24920(14) -0.4984(2) 0.56914(13) 0.0444(7) Uani 1 1 d . . .
F10 F 0.1113(3) -0.3588(5) 0.7507(2) 0.136(2) Uani 1 1 d . . .
F11 F 0.07304(17) -0.5118(2) 0.6926(2) 0.0727(11) Uani 1 1 d . . .
F12 F 0.03403(16) -0.3336(3) 0.6633(2) 0.0905(15) Uani 1 1 d . . .
F13 F 0.40445(15) 0.4714(3) 0.94960(13) 0.0491(7) Uani 1 1 d . . .
F14 F 0.41620(16) 0.5242(2) 0.86472(16) 0.0547(8) Uani 1 1 d . . .
F15 F 0.32402(14) 0.5338(2) 0.86385(15) 0.0490(7) Uani 1 1 d . . .
F16 F 0.12866(16) 0.4456(3) 0.87115(17) 0.0610(9) Uani 1 1 d . . .
F17 F 0.19052(16) 0.3180(3) 0.94368(14) 0.0585(8) Uani 1 1 d . . .
F18 F 0.10698(14) 0.2512(3) 0.86362(16) 0.0585(8) Uani 1 1 d . . .
F19 F 0.34275(15) 0.1182(3) 0.54290(15) 0.0502(7) Uani 1 1 d . . .
F20 F 0.37627(16) -0.0689(3) 0.55812(17) 0.0634(9) Uani 1 1 d . . .
F21 F 0.28080(16) -0.0250(3) 0.48685(14) 0.0572(8) Uani 1 1 d . . .
F22 F 0.08661(18) 0.4232(3) 0.51645(17) 0.0683(10) Uani 1 1 d . . .
F23 F 0.06212(19) 0.2961(3) 0.5733(2) 0.0781(11) Uani 1 1 d . . .
F24 F 0.05012(17) 0.2452(3) 0.47720(17) 0.0790(12) 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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 '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'
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
P1 Au1 P2 151.41(3) . . ?
P1 Au1 Cl1 101.39(3) . . ?
P2 Au1 Cl1 101.10(3) . . ?
P1 Au1 Rh1 95.84(2) . . ?
P2 Au1 Rh1 95.35(2) . . ?
Cl1 Au1 Rh1 104.58(2) . . ?
C8 Rh1 C3 175.39(14) . . ?
C8 Rh1 P4 83.77(11) . . ?
C3 Rh1 P4 94.08(11) . . ?
C8 Rh1 P3 87.32(11) . . ?
C3 Rh1 P3 94.06(11) . . ?
P4 Rh1 P3 166.48(3) . . ?
C8 Rh1 Cl2 91.45(10) . . ?
C3 Rh1 Cl2 93.05(10) . . ?
P4 Rh1 Cl2 105.59(3) . . ?
P3 Rh1 Cl2 84.72(3) . . ?
C8 Rh1 Au1 89.17(10) . . ?
C3 Rh1 Au1 86.52(10) . . ?
P4 Rh1 Au1 83.27(3) . . ?
P3 Rh1 Au1 86.47(2) . . ?
Cl2 Rh1 Au1 171.13(3) . . ?
O1 P1 O2 98.32(15) . . ?
O1 P1 N1 98.46(15) . . ?
O2 P1 N1 104.06(15) . . ?
O1 P1 Au1 120.78(11) . . ?
O2 P1 Au1 118.13(11) . . ?
N1 P1 Au1 113.89(11) . . ?
O3 P2 O4 101.30(14) . . ?
O3 P2 N2 101.00(15) . . ?
O4 P2 N2 98.64(16) . . ?
O3 P2 Au1 119.62(11) . . ?
O4 P2 Au1 121.94(11) . . ?
N2 P2 Au1 110.59(12) . . ?
O6 P3 O5 96.88(14) . . ?
O6 P3 N1 97.42(15) . . ?
O5 P3 N1 102.00(15) . . ?
O6 P3 Rh1 114.44(11) . . ?
O5 P3 Rh1 119.96(10) . . ?
N1 P3 Rh1 121.38(11) . . ?
O8 P4 O7 97.40(15) . . ?
O8 P4 N2 96.37(15) . . ?
O7 P4 N2 103.91(15) . . ?
O8 P4 Rh1 114.35(11) . . ?
O7 P4 Rh1 121.13(12) . . ?
N2 P4 Rh1 119.02(12) . . ?
C13 O1 P1 117.8(2) . . ?
C15 O2 P1 121.1(3) . . ?
C17 O3 P2 121.7(2) . . ?
C19 O4 P2 123.1(3) . . ?
C21 O5 P3 123.1(2) . . ?
C23 O6 P3 121.7(2) . . ?
C25 O7 P4 120.9(2) . . ?
C27 O8 P4 120.0(3) . . ?
N3 C3 Rh1 176.6(3) . . ?
N3 C4 C6 107.6(3) . . ?
N3 C4 C7 107.5(3) . . ?
C6 C4 C7 112.0(3) . . ?
N3 C4 C5 107.8(3) . . ?
C6 C4 C5 111.2(4) . . ?
C7 C4 C5 110.7(4) . . ?
N4 C8 Rh1 176.7(3) . . ?
N4 C9 C10 107.2(3) . . ?
N4 C9 C12 107.5(3) . . ?
C10 C9 C12 111.2(4) . . ?
N4 C9 C11 106.1(3) . . ?
C10 C9 C11 112.6(4) . . ?
C12 C9 C11 111.9(4) . . ?
O1 C13 C14 106.4(3) . . ?
F1 C14 F2 107.8(4) . . ?
F1 C14 F3 107.4(4) . . ?
F2 C14 F3 107.2(4) . . ?
F1 C14 C13 112.8(4) . . ?
F2 C14 C13 112.8(4) . . ?
F3 C14 C13 108.6(4) . . ?
O2 C15 C16 110.0(4) . . ?
F6 C16 F5 108.5(5) . . ?
F6 C16 F4 106.4(4) . . ?
F5 C16 F4 107.2(5) . . ?
F6 C16 C15 110.4(4) . . ?
F5 C16 C15 112.5(4) . . ?
F4 C16 C15 111.6(4) . . ?
O3 C17 C18 106.7(3) . . ?
F7 C18 F8 107.2(4) . . ?
F7 C18 F9 107.5(4) . . ?
F8 C18 F9 106.8(4) . . ?
F7 C18 C17 109.8(4) . . ?
F8 C18 C17 112.4(4) . . ?
F9 C18 C17 112.8(4) . . ?
O4 C19 C20 111.8(4) . . ?
F12 C20 F11 109.7(4) . . ?
F12 C20 F10 101.9(5) . . ?
F11 C20 F10 103.4(4) . . ?
F12 C20 C19 115.6(5) . . ?
F11 C20 C19 115.1(4) . . ?
F10 C20 C19 109.7(5) . . ?
O5 C21 C22 106.8(3) . . ?
F13 C22 F15 107.3(4) . . ?
F13 C22 F14 107.3(4) . . ?
F15 C22 F14 107.1(4) . . ?
F13 C22 C21 114.0(4) . . ?
F15 C22 C21 112.7(4) . . ?
F14 C22 C21 108.1(3) . . ?
O6 C23 C24 106.6(3) . . ?
F17 C24 F18 106.5(4) . . ?
F17 C24 F16 107.1(4) . . ?
F18 C24 F16 107.4(4) . . ?
F17 C24 C23 113.0(4) . . ?
F18 C24 C23 113.1(4) . . ?
F16 C24 C23 109.5(4) . . ?
O7 C25 C26 107.2(3) . . ?
F19 C26 F21 106.2(4) . . ?
F19 C26 F20 107.8(4) . . ?
F21 C26 F20 108.2(4) . . ?
F19 C26 C25 112.9(4) . . ?
F21 C26 C25 112.1(4) . . ?
F20 C26 C25 109.4(4) . . ?
O8 C27 C28 106.1(4) . . ?
F24 C28 F23 108.7(5) . . ?
F24 C28 F22 107.0(4) . . ?
F23 C28 F22 106.5(4) . . ?
F24 C28 C27 112.7(4) . . ?
F23 C28 C27 112.2(4) . . ?
F22 C28 C27 109.3(4) . . ?
C1 N1 P1 119.1(2) . . ?
C1 N1 P3 119.1(2) . . ?
P1 N1 P3 121.76(18) . . ?
C2 N2 P2 119.3(2) . . ?
C2 N2 P4 119.4(2) . . ?
P2 N2 P4 120.59(19) . . ?
C3 N3 C4 177.4(4) . . ?
C8 N4 C9 175.0(4) . . ?
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 P1 2.2713(10) . ?
Au1 P2 2.2741(10) . ?
Au1 Cl1 2.6632(9) . ?
Au1 Rh1 2.8181(3) . ?
Rh1 C8 1.975(4) . ?
Rh1 C3 1.988(4) . ?
Rh1 P4 2.2603(10) . ?
Rh1 P3 2.3147(10) . ?
Rh1 Cl2 2.6027(9) . ?
P1 O1 1.605(3) . ?
P1 O2 1.616(3) . ?
P1 N1 1.669(3) . ?
P2 O3 1.611(3) . ?
P2 O4 1.623(3) . ?
P2 N2 1.671(3) . ?
P3 O6 1.615(3) . ?
P3 O5 1.621(3) . ?
P3 N1 1.670(3) . ?
P4 O8 1.611(3) . ?
P4 O7 1.613(3) . ?
P4 N2 1.685(3) . ?
O1 C13 1.428(4) . ?
O2 C15 1.426(5) . ?
O3 C17 1.446(4) . ?
O4 C19 1.395(5) . ?
O5 C21 1.420(4) . ?
O6 C23 1.431(4) . ?
O7 C25 1.426(5) . ?
O8 C27 1.435(5) . ?
C1 N1 1.494(5) . ?
C2 N2 1.498(5) . ?
C3 N3 1.149(5) . ?
C4 N3 1.474(5) . ?
C4 C6 1.516(6) . ?
C4 C7 1.522(6) . ?
C4 C5 1.523(5) . ?
C8 N4 1.141(5) . ?
C9 N4 1.469(5) . ?
C9 C10 1.521(6) . ?
C9 C12 1.526(6) . ?
C9 C11 1.528(6) . ?
C13 C14 1.513(6) . ?
C14 F1 1.314(5) . ?
C14 F2 1.329(5) . ?
C14 F3 1.345(5) . ?
C15 C16 1.492(7) . ?
C16 F6 1.319(5) . ?
C16 F5 1.331(6) . ?
C16 F4 1.333(6) . ?
C17 C18 1.490(6) . ?
C18 F7 1.334(5) . ?
C18 F8 1.334(5) . ?
C18 F9 1.340(5) . ?
C19 C20 1.451(6) . ?
C20 F12 1.286(5) . ?
C20 F11 1.304(5) . ?
C20 F10 1.328(6) . ?
C21 C22 1.510(5) . ?
C22 F13 1.316(5) . ?
C22 F15 1.337(5) . ?
C22 F14 1.352(5) . ?
C23 C24 1.487(5) . ?
C24 F17 1.323(5) . ?
C24 F18 1.331(5) . ?
C24 F16 1.350(5) . ?
C25 C26 1.503(6) . ?
C26 F19 1.327(5) . ?
C26 F21 1.330(5) . ?
C26 F20 1.335(6) . ?
C27 C28 1.490(7) . ?
C28 F24 1.320(6) . ?
C28 F23 1.326(6) . ?
C28 F22 1.344(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 Au1 Rh1 P3 -6.05(3) . . . . ?
P2 Au1 Rh1 P4 -23.59(3) . . . . ?
