#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/90/7109054.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_7109054
loop_
_publ_author_name
'Manuel Alcarazo'
'Karin Radkowski'
'Gerlinde Mehler'
'Richard Goddard'
'Alois Furstner'
_publ_section_title
;
 Chiral heterobimetallic complexes of carbodiphosphoranes and
 phosphinidene_carbene adducts
;
_journal_name_full               Chem.Commun.
_journal_page_first              3140
_journal_paper_doi               10.1039/c3cc40382c
_journal_volume                  49
_journal_year                    2013
_chemical_compound_source        dichloromethane,diethylether,hexane
_chemical_formula_moiety
'C54 H44 Au Cl Cu N P3, F6 Sb, C4 H10 O, 1.26(C H2 Cl2)'
_chemical_formula_sum            'C59.26 H56.52 Au Cl3.52 Cu F6 N O P3 Sb'
_chemical_formula_weight         1512.60
_chemical_name_systematic
;
? RKI-RF-202-02
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_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_block_code                RKI-RF-202-02_7057
_audit_creation_date             2012-12-07
_cell_angle_alpha                90.00
_cell_angle_beta                 114.233(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   31.703(8)
_cell_length_b                   11.136(3)
_cell_length_c                   38.620(11)
_cell_measurement_reflns_used    9906
_cell_measurement_temperature    100
_cell_measurement_theta_max      28.4891
_cell_measurement_theta_min      2.3132
_cell_volume                     12433(6)
_computing_cell_refinement       'SAINT software (Bruker AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker AXS, 2008)'
_computing_data_reduction        'SAINT software (Bruker AXS, 2004)'
_computing_molecular_graphics    'DIAMOND (Crystal Impact GbR, 2005)'
_computing_structure_refinement  'SHELXL-97 (G. M. Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (G. M. Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector_area_resol_mean 66.67
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker-AXS Kappa Mach3 APEX-II'
_diffrn_measurement_method       'CCD φ- and ω-scans'
_diffrn_radiation_monochromator  'Incoatec Helios mirrors'
_diffrn_radiation_source         '0.2 x 2mm^2^ focus rotating anode'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0946
_diffrn_reflns_av_sigmaI/netI    0.0688
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_limit_l_min       -50
_diffrn_reflns_number            94800
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_diffrn_reflns_theta_min         2.42
_exptl_absorpt_coefficient_mu    3.410
_exptl_absorpt_correction_T_max  0.96823
_exptl_absorpt_correction_T_min  0.73288
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   'SADABS (Bruker AXS, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_description       needle
_exptl_crystal_F_000             5959
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.884
_refine_diff_density_min         -2.679
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.319
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     734
_refine_ls_number_reflns         14815
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.319
_refine_ls_R_factor_all          0.0712
_refine_ls_R_factor_gt           0.0516
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0469P)²+1.9344P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1203
_reflns_number_gt                12024
_reflns_number_total             14815
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc40382c.txt
_cod_data_source_block           5
_cod_original_sg_symbol_Hall     '-c 2yc'
_cod_original_sg_symbol_H-M      'c 2/c'
_cod_database_code               7109054
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
C1 C 0.17590(17) 0.0341(4) 0.10930(13) 0.0149(10) Uani 1 1 d .
C2 C 0.13157(19) 0.1925(4) 0.14262(14) 0.0174(10) Uani 1 1 d .
C3 C 0.0976(2) 0.2724(5) 0.14079(15) 0.0279(12) Uani 1 1 d .
H3 H 0.0685 0.2733 0.1196 0.033 Uiso 1 1 calc R
C4 C 0.1072(3) 0.3521(5) 0.17091(18) 0.0395(17) Uani 1 1 d .
H4 H 0.0846 0.4088 0.1705 0.047 Uiso 1 1 calc R
C5 C 0.1495(3) 0.3477(5) 0.20111(17) 0.0448(19) Uani 1 1 d .
H5 H 0.1569 0.4033 0.2214 0.054 Uiso 1 1 calc R
C6 C 0.1819(2) 0.2602(6) 0.20180(16) 0.0377(15) Uani 1 1 d .
H6 H 0.2107 0.2551 0.2233 0.045 Uiso 1 1 calc R
C7 C 0.08668(19) -0.0319(4) 0.11541(14) 0.0180(10) Uani 1 1 d .
C8 C 0.0391(2) -0.0172(4) 0.10123(15) 0.0234(11) Uani 1 1 d .
H8 H 0.0247 0.0489 0.0852 0.028 Uiso 1 1 calc R
C9 C 0.0127(2) -0.1001(5) 0.11073(17) 0.0346(14) Uani 1 1 d .
H9 H -0.0200 -0.0911 0.1008 0.042 Uiso 1 1 calc R
C10 C 0.0339(2) -0.1960(5) 0.13468(18) 0.0368(15) Uani 1 1 d .
H10 H 0.0157 -0.2533 0.1406 0.044 Uiso 1 1 calc R
C11 C 0.0816(2) -0.2081(5) 0.14989(17) 0.0301(13) Uani 1 1 d .
H11 H 0.0962 -0.2724 0.1667 0.036 Uiso 1 1 calc R
C12 C 0.1079(2) -0.1261(4) 0.14044(15) 0.0215(11) Uani 1 1 d .
H12 H 0.1407 -0.1338 0.1510 0.026 Uiso 1 1 calc R
C13 C 0.08580(18) 0.1491(4) 0.06065(14) 0.0171(10) Uani 1 1 d .
C14 C 0.05937(19) 0.0760(4) 0.03051(15) 0.0216(11) Uani 1 1 d .
H14 H 0.0566 -0.0074 0.0344 0.026 Uiso 1 1 calc R
C15 C 0.0369(2) 0.1256(5) -0.00542(15) 0.0281(12) Uani 1 1 d .
H15 H 0.0189 0.0757 -0.0262 0.034 Uiso 1 1 calc R
C16 C 0.0407(2) 0.2479(5) -0.01131(16) 0.0287(12) Uani 1 1 d .
H16 H 0.0249 0.2811 -0.0360 0.034 Uiso 1 1 calc R
C17 C 0.0673(2) 0.3210(5) 0.01870(17) 0.0298(13) Uani 1 1 d .
H17 H 0.0697 0.4044 0.0147 0.036 Uiso 1 1 calc R
C18 C 0.0904(2) 0.2721(4) 0.05452(15) 0.0231(11) Uani 1 1 d .
H18 H 0.1094 0.3217 0.0750 0.028 Uiso 1 1 calc R
C19 C 0.1544(2) -0.2178(4) 0.08338(15) 0.0221(12) Uani 1 1 d .
C20 C 0.1803(2) -0.2897(4) 0.11509(17) 0.0271(13) Uani 1 1 d .
H20 H 0.2114 -0.2689 0.1309 0.033 Uiso 1 1 calc R
C21 C 0.1604(2) -0.3906(4) 0.12324(17) 0.0295(13) Uani 1 1 d .
H21 H 0.1777 -0.4391 0.1446 0.035 Uiso 1 1 calc R
C22 C 0.1150(2) -0.4203(4) 0.09980(17) 0.0323(14) Uani 1 1 d .
H22 H 0.1012 -0.4884 0.1058 0.039 Uiso 1 1 calc R
C23 C 0.0897(2) -0.3535(5) 0.06831(17) 0.0301(13) Uani 1 1 d .
H23 H 0.0590 -0.3767 0.0523 0.036 Uiso 1 1 calc R
C24 C 0.1093(2) -0.2505(4) 0.05979(16) 0.0258(12) Uani 1 1 d .
H24 H 0.0919 -0.2035 0.0381 0.031 Uiso 1 1 calc R
C25 C 0.2411(2) -0.1136(4) 0.09094(16) 0.0259(13) Uani 1 1 d .
C26 C 0.2506(3) -0.1936(5) 0.06757(19) 0.0364(15) Uani 1 1 d .
H26 H 0.2259 -0.2277 0.0463 0.044 Uiso 1 1 calc R
C27 C 0.2957(3) -0.2236(6) 0.0752(2) 0.048(2) Uani 1 1 d .
H27 H 0.3020 -0.2788 0.0591 0.057 Uiso 1 1 calc R
C28 C 0.3321(3) -0.1736(6) 0.1062(3) 0.052(2) Uani 1 1 d .
H28 H 0.3633 -0.1934 0.1113 0.063 Uiso 1 1 calc R
C29 C 0.3224(3) -0.0964(6) 0.1290(2) 0.054(2) Uani 1 1 d .
H29 H 0.3471 -0.0616 0.1500 0.065 Uiso 1 1 calc R
C30 C 0.2766(2) -0.0663(5) 0.12228(18) 0.0329(14) Uani 1 1 d .
H30 H 0.2703 -0.0142 0.1391 0.039 Uiso 1 1 calc R
C31 C 0.15684(19) -0.0338(4) 0.02908(14) 0.0208(11) Uani 1 1 d .
C32 C 0.1399(2) -0.1191(5) -0.00037(16) 0.0282(13) Uani 1 1 d .
H32 H 0.1403 -0.2022 0.0054 0.034 Uiso 1 1 calc R
C33 C 0.1226(2) -0.0805(5) -0.03823(17) 0.0343(14) Uani 1 1 d .
H33 H 0.1107 -0.1377 -0.0582 0.041 Uiso 1 1 calc R
C34 C 0.1225(2) 0.0396(5) -0.04690(16) 0.0306(13) Uani 1 1 d .
H34 H 0.1105 0.0649 -0.0726 0.037 Uiso 1 1 calc R
C35 C 0.1403(2) 0.1241(5) -0.01766(15) 0.0267(12) Uani 1 1 d .
H35 H 0.1407 0.2068 -0.0236 0.032 Uiso 1 1 calc R
C36 C 0.15734(19) 0.0882(4) 0.01972(16) 0.0238(12) Uani 1 1 d .
H36 H 0.1695 0.1462 0.0394 0.029 Uiso 1 1 calc R
C37 C 0.2407(2) 0.4177(4) 0.06751(15) 0.0227(12) Uani 1 1 d .
C38 C 0.1948(2) 0.4529(5) 0.05461(15) 0.0256(12) Uani 1 1 d .
H38 H 0.1781 0.4353 0.0695 0.031 Uiso 1 1 calc R
C39 C 0.1726(2) 0.5135(5) 0.02028(16) 0.0280(12) Uani 1 1 d .
H39 H 0.1411 0.5363 0.0118 0.034 Uiso 1 1 calc R
C40 C 0.1971(2) 0.5397(5) -0.00106(16) 0.0323(13) Uani 1 1 d .
H40 H 0.1825 0.5811 -0.0245 0.039 Uiso 1 1 calc R
C41 C 0.2427(2) 0.5060(6) 0.01149(17) 0.0405(16) Uani 1 1 d .
H41 H 0.2593 0.5244 -0.0035 0.049 Uiso 1 1 calc R
C42 C 0.2648(2) 0.4457(5) 0.04553(17) 0.0337(14) Uani 1 1 d .
H42 H 0.2963 0.4235 0.0539 0.040 Uiso 1 1 calc R
C43 C 0.32235(19) 0.2806(4) 0.11591(15) 0.0204(11) Uani 1 1 d .
C44 C 0.3625(2) 0.3193(5) 0.14428(18) 0.0372(15) Uani 1 1 d .
H44 H 0.3620 0.3784 0.1618 0.045 Uiso 1 1 calc R
C45 C 0.4047(2) 0.2705(7) 0.1472(2) 0.0506(19) Uani 1 1 d .
H45 H 0.4329 0.2964 0.1669 0.061 Uiso 1 1 calc R
C46 C 0.4052(2) 0.1849(5) 0.1214(2) 0.0391(15) Uani 1 1 d .
H46 H 0.4338 0.1526 0.1233 0.047 Uiso 1 1 calc R
C47 C 0.3646(2) 0.1468(5) 0.09321(18) 0.0322(14) Uani 1 1 d .
H47 H 0.3651 0.0875 0.0757 0.039 Uiso 1 1 calc R
C48 C 0.3232(2) 0.1939(4) 0.09017(17) 0.0285(13) Uani 1 1 d .
H48 H 0.2951 0.1675 0.0705 0.034 Uiso 1 1 calc R
C49 C 0.27779(19) 0.4443(4) 0.14891(14) 0.0207(11) Uani 1 1 d .
C50 C 0.2689(2) 0.4154(5) 0.18008(17) 0.0349(15) Uani 1 1 d .
H50 H 0.2564 0.3390 0.1816 0.042 Uiso 1 1 calc R
C51 C 0.2784(3) 0.4994(6) 0.20948(19) 0.0470(18) Uani 1 1 d .
H51 H 0.2728 0.4794 0.2311 0.056 Uiso 1 1 calc R
C52 C 0.2957(3) 0.6088(6) 0.20702(19) 0.0506(19) Uani 1 1 d .
H52 H 0.3011 0.6661 0.2266 0.061 Uiso 1 1 calc R
C53 C 0.3054(3) 0.6378(5) 0.17651(18) 0.0476(19) Uani 1 1 d .
H53 H 0.3187 0.7135 0.1756 0.057 Uiso 1 1 calc R
C54 C 0.2958(2) 0.5569(4) 0.14725(16) 0.0342(15) Uani 1 1 d .
H54 H 0.3016 0.5782 0.1258 0.041 Uiso 1 1 calc R
C55 C 0.4073(5) 0.4499(11) 0.2606(4) 0.060(3) Uani 0.629(4) 1 d P
H55A H 0.4044 0.3758 0.2736 0.072 Uiso 0.629(4) 1 calc PR
H55B H 0.3784 0.4587 0.2374 0.072 Uiso 0.629(4) 1 calc PR
C56 C 0.4681(5) 0.6987(12) 0.1807(5) 0.071(4) Uani 0.629(4) 1 d P
H56A H 0.4779 0.7536 0.1653 0.085 Uiso 0.629(4) 1 calc PR
H56B H 0.4961 0.6599 0.1998 0.085 Uiso 0.629(4) 1 calc PR
C60 C 0.3184(3) 0.1959(6) 0.2602(2) 0.0484(18) Uani 1 1 d .
H60A H 0.3237 0.1501 0.2833 0.073 Uiso 1 1 calc R
H60B H 0.2855 0.1933 0.2431 0.073 Uiso 1 1 calc R
H60C H 0.3279 0.2795 0.2670 0.073 Uiso 1 1 calc R
C59 C 0.3484(3) 0.1381(8) 0.2393(3) 0.074(3) Uani 1 1 d .
H59A H 0.3361 0.0584 0.2286 0.089 Uiso 1 1 calc R
H59B H 0.3480 0.1909 0.2186 0.089 Uiso 1 1 calc R
C57 C 0.4254(4) 0.0736(11) 0.2555(3) 0.102(4) Uani 1 1 d .
H57A H 0.4253 0.1182 0.2333 0.123 Uiso 1 1 calc R
H57B H 0.4159 -0.0103 0.2477 0.123 Uiso 1 1 calc R
C58 C 0.4733(5) 0.0764(13) 0.2877(3) 0.126(5) Uani 1 1 d .
H58A H 0.4833 0.1599 0.2938 0.189 Uiso 1 1 calc R
H58B H 0.4951 0.0340 0.2799 0.189 Uiso 1 1 calc R
H58C H 0.4724 0.0370 0.3101 0.189 Uiso 1 1 calc R
Au1 Au 0.218648(7) 0.182008(15) 0.111599(5) 0.01869(7) Uani 1 1 d .
Cl1A Cl 0.25453(15) -0.0891(3) 0.21285(12) 0.0322(7) Uani 0.802(7) 1 d P
Cl1B Cl 0.2676(8) -0.046(2) 0.2154(6) 0.072(6) Uani 0.198(7) 1 d P
Cl2 Cl 0.41150(12) 0.5723(3) 0.29047(9) 0.0587(10) Uani 0.629(4) 1 d P
Cl3 Cl 0.4489(2) 0.4320(4) 0.24808(15) 0.1130(19) Uani 0.629(4) 1 d P
Cl4 Cl 0.43971(17) 0.7827(4) 0.20437(13) 0.1042(18) Uani 0.629(4) 1 d P
Cl5 Cl 0.43195(14) 0.5911(3) 0.15194(9) 0.0679(11) Uani 0.629(4) 1 d P
Cu1A Cu 0.21014(5) 0.01819(18) 0.16502(4) 0.0255(5) Uani 0.802(7) 1 d P
Cu1B Cu 0.2223(2) -0.0273(7) 0.15745(14) 0.0285(19) Uani 0.198(7) 1 d P
F1 F 0.51647(13) 0.7419(3) 0.41761(12) 0.0503(10) Uani 1 1 d .
F2 F 0.48083(15) 0.9472(4) 0.42572(16) 0.0687(14) Uani 1 1 d .
F3 F 0.5168(2) 0.9280(5) 0.37547(12) 0.096(2) Uani 1 1 d .
F4 F 0.55880(14) 1.0606(3) 0.43646(11) 0.0447(10) Uani 1 1 d .
F5 F 0.59537(15) 0.8556(4) 0.42897(16) 0.0686(14) Uani 1 1 d .
F6 F 0.56052(18) 0.8744(4) 0.47935(11) 0.0673(13) Uani 1 1 d .
N1 N 0.17289(18) 0.1833(4) 0.17250(13) 0.0299(11) Uani 1 1 d .
O1 O 0.3952(2) 0.1273(6) 0.26880(18) 0.0787(18) Uani 1 1 d .
P1 P 0.12207(5) 0.08039(10) 0.10561(4) 0.0164(3) Uani 1 1 d .
P2 P 0.18036(5) -0.07684(10) 0.07888(4) 0.0195(3) Uani 1 1 d .
P3 P 0.26593(5) 0.33515(10) 0.11162(4) 0.0177(3) Uani 1 1 d .
Sb1 Sb 0.537564(14) 0.90162(3) 0.426950(10) 0.02486(10) 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'
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'
Cu Cu 0.3201 1.2651 '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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1.00 1.00 0.00 0.0600
-1.00 -1.00 0.00 0.0400
1.00 0.00 -0.50 0.0100
-1.00 0.00 0.50 0.0100
0.00 0.00 1.00 0.0050
0.00 0.00 -1.00 0.0050
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
P1 C1 P2 120.2(3) y
P1 C1 Cu1B 120.8(4) y
P2 C1 Cu1B 98.9(4) y
P1 C1 Cu1A 101.4(2) y
P2 C1 Cu1A 120.4(3) y
P1 C1 Au1 111.4(2) y
P2 C1 Au1 110.6(2) y
Cu1B C1 Au1 90.7(2) y
Cu1A C1 Au1 88.16(19) y
N1 C2 C3 123.9(5) y
N1 C2 P1 114.1(4) y
C3 C2 P1 121.8(4) y
C2 C3 C4 118.1(6) y
C5 C4 C3 119.3(6) y
C4 C5 C6 119.5(5) y
N1 C6 C5 121.4(6) y
C8 C7 C12 119.9(4) y
C8 C7 P1 120.0(4) y
C12 C7 P1 119.7(4) y
C7 C8 C9 119.5(5) y
C10 C9 C8 120.2(6) y
C11 C10 C9 120.2(5) y
C12 C11 C10 119.7(5) y
C11 C12 C7 120.4(5) y
C14 C13 C18 119.9(5) y
C14 C13 P1 119.0(3) y
C18 C13 P1 120.2(4) y
C13 C14 C15 119.4(4) y
C14 C15 C16 120.6(5) y
C17 C16 C15 120.1(5) y
C18 C17 C16 119.8(5) y
C17 C18 C13 120.1(5) y
C24 C19 C20 119.6(5) y
C24 C19 P2 123.2(4) y
C20 C19 P2 116.7(4) y
C21 C20 C19 120.1(6) y
C20 C21 C22 119.4(5) y
C23 C22 C21 121.4(5) y
C22 C23 C24 119.8(6) y
C19 C24 C23 119.6(5) y
C30 C25 C26 120.1(6) y
C30 C25 P2 122.2(4) y
C26 C25 P2 117.6(5) y
C27 C26 C25 120.0(7) y
C26 C27 C28 120.5(7) y
C29 C28 C27 118.8(7) y
C28 C29 C30 121.8(8) y
C25 C30 C29 118.7(6) y
C36 C31 C32 119.0(5) y
C36 C31 P2 118.9(4) y
C32 C31 P2 122.1(4) y
C33 C32 C31 119.5(5) y
C34 C33 C32 120.8(5) y
C33 C34 C35 119.8(5) y
C36 C35 C34 120.4(5) y
C35 C36 C31 120.6(5) y
C38 C37 C42 118.4(5) y
C38 C37 P3 118.4(4) y
C42 C37 P3 123.2(5) y
C37 C38 C39 121.6(5) y
C40 C39 C38 119.0(6) y
C39 C40 C41 120.1(5) y
C40 C41 C42 121.1(5) y
C41 C42 C37 119.9(6) y
C44 C43 C48 120.4(5) y
C44 C43 P3 121.5(4) y
C48 C43 P3 118.0(4) y
C43 C44 C45 119.1(5) y
C46 C45 C44 120.1(6) y
C47 C46 C45 120.1(6) y
C46 C47 C48 120.2(5) y
C47 C48 C43 120.1(6) y
C50 C49 C54 119.0(5) y
C50 C49 P3 119.2(4) y
C54 C49 P3 121.8(4) y
C49 C50 C51 119.7(5) y
C52 C51 C50 120.1(6) y
C51 C52 C53 120.7(6) y
C52 C53 C54 119.9(6) y
C53 C54 C49 120.6(5) y
Cl3 C55 Cl2 116.6(8) y
Cl5 C56 Cl4 110.7(8) y
O1 C59 C60 105.1(7) y
O1 C57 C58 107.3(9) y
C1 Au1 P3 176.59(12) y
C1 Au1 Cu1A 44.03(13) y
P3 Au1 Cu1A 137.70(4) y
C1 Au1 Cu1B 42.54(16) y
P3 Au1 Cu1B 137.93(10) y
Cu1A Au1 Cu1B 15.24(17) y
Cl1B Cl1A Cu1B 85(2) y
Cl1B Cl1A Cu1A 82(2) y
Cl1A Cl1B Cu1B 78(2) y
Cl1A Cl1B Cu1A 81(2) y
Cu1B Cu1A C1 77.4(4) y
Cu1B Cu1A Cl1A 72.9(3) y
C1 Cu1A Cl1A 148.3(2) y
Cu1B Cu1A Cl1B 75.8(6) y
C1 Cu1A Cl1B 152.6(6) y
Cl1A Cu1A Cl1B 16.3(6) y
Cu1B Cu1A N1 163.4(3) y
C1 Cu1A N1 89.08(19) y
Cl1A Cu1A N1 121.93(18) y
Cl1B Cu1A N1 116.3(6) y
Cu1B Cu1A Au1 86.3(3) y
C1 Cu1A Au1 47.81(13) y
Cl1A Cu1A Au1 138.57(11) y
Cl1B Cu1A Au1 124.5(6) y
N1 Cu1A Au1 77.42(12) y
Cu1B Cu1A P1 109.4(3) y
C1 Cu1A P1 36.14(14) y
Cl1A Cu1A P1 153.05(10) y
Cl1B Cu1A P1 167.7(6) y
N1 Cu1A P1 61.35(14) y
Au1 Cu1A P1 67.53(4) y
Cu1A Cu1B C1 80.3(5) y
Cu1A Cu1B Cl1A 86.4(4) y
C1 Cu1B Cl1A 162.6(5) y
Cu1A Cu1B Cl1B 83.7(7) y
C1 Cu1B Cl1B 163.1(10) y
Cl1A Cu1B Cl1B 16.8(6) y
Cu1A Cu1B P2 116.8(4) y
C1 Cu1B P2 37.78(18) y
Cl1A Cu1B P2 149.3(4) y
Cl1B Cu1B P2 159.0(9) y
Cu1A Cu1B Au1 78.5(3) y
C1 Cu1B Au1 46.71(15) y
Cl1A Cu1B Au1 140.9(3) y
Cl1B Cu1B Au1 124.4(8) y
P2 Cu1B Au1 67.52(9) y
C2 N1 C6 117.7(5) y
C2 N1 Cu1A 109.1(3) y
C6 N1 Cu1A 132.7(5) y
C57 O1 C59 112.3(8) y
C1 P1 C13 114.9(2) y
C1 P1 C7 116.7(2) y
C13 P1 C7 106.6(2) y
C1 P1 C2 107.4(2) y
C13 P1 C2 107.3(2) y
C7 P1 C2 103.0(2) y
C13 P1 Cu1A 153.12(17) y
C7 P1 Cu1A 98.52(18) y
C2 P1 Cu1A 75.30(18) y
C1 P2 C19 112.5(2) y
C1 P2 C31 114.4(2) y
C19 P2 C31 108.9(2) y
C1 P2 C25 110.7(2) y
C19 P2 C25 104.7(2) y
C31 P2 C25 105.0(2) y
C19 P2 Cu1B 95.65(19) y
C31 P2 Cu1B 153.3(2) y
C25 P2 Cu1B 77.8(3) y
C49 P3 C37 106.0(2) y
C49 P3 C43 106.0(2) y
C37 P3 C43 107.0(2) y
C49 P3 Au1 115.35(17) y
C37 P3 Au1 110.19(18) y
C43 P3 Au1 111.80(15) y
F3 Sb1 F2 90.9(3) y
F3 Sb1 F6 178.2(3) y
F2 Sb1 F6 90.8(2) y
F3 Sb1 F5 89.9(3) y
F2 Sb1 F5 179.2(2) y
F6 Sb1 F5 88.3(2) y
F3 Sb1 F4 90.1(2) y
F2 Sb1 F4 90.75(17) y
F6 Sb1 F4 89.54(18) y
F5 Sb1 F4 89.06(17) y
F3 Sb1 F1 90.1(2) y
F2 Sb1 F1 89.38(17) y
F6 Sb1 F1 90.23(19) y
F5 Sb1 F1 90.81(17) y
F4 Sb1 F1 179.7(2) y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
C1 P1 1.732(5) y
C1 P2 1.750(5) y
C1 Cu1B 1.961(7) y
C1 Cu1A 1.981(5) y
C1 Au1 2.111(4) y
C2 N1 1.348(7) y
C2 C3 1.375(7) y
C2 P1 1.827(5) y
C3 C4 1.394(8) y
C4 C5 1.371(10) y
C5 C6 1.408(10) y
C6 N1 1.353(7) y
C7 C8 1.387(8) y
C7 C12 1.398(7) y
C7 P1 1.820(5) y
C8 C9 1.394(7) y
C9 C10 1.393(9) y
C10 C11 1.386(9) y
C11 C12 1.384(7) y
C13 C14 1.385(7) y
C13 C18 1.408(6) y
C13 P1 1.812(5) y
C14 C15 1.388(7) y
C15 C16 1.394(8) y
C16 C17 1.384(8) y
C17 C18 1.384(8) y
C19 C24 1.392(8) y
C19 C20 1.410(8) y
C19 P2 1.813(5) y
C20 C21 1.387(7) y
C21 C22 1.390(9) y
C22 C23 1.369(9) y
C23 C24 1.408(7) y
C25 C30 1.375(8) y
C25 C26 1.386(7) y
C25 P2 1.832(6) y
C26 C27 1.377(10) y
C27 C28 1.395(11) y
C28 C29 1.353(11) y
C29 C30 1.405(10) y
C31 C36 1.407(6) y
C31 C32 1.408(7) y
C31 P2 1.819(5) y
C32 C33 1.402(8) y
C33 C34 1.379(8) y
C34 C35 1.398(8) y
C35 C36 1.377(7) y
C37 C38 1.387(8) y
C37 C42 1.390(7) y
C37 P3 1.808(5) y
C38 C39 1.394(7) y
C39 C40 1.375(8) y
C40 C41 1.376(9) y
C41 C42 1.383(8) y
C43 C44 1.364(8) y
C43 C48 1.394(7) y
C43 P3 1.831(5) y
C44 C45 1.404(9) y
C45 C46 1.384(9) y
C46 C47 1.367(9) y
C47 C48 1.372(8) y
C49 C50 1.383(7) y
C49 C54 1.390(7) y
C49 P3 1.802(5) y
C50 C51 1.405(8) y
C51 C52 1.355(9) y
C52 C53 1.374(9) y
C53 C54 1.378(8) y
C55 Cl3 1.593(14) y
C55 Cl2 1.755(12) y
C56 Cl5 1.714(16) y
C56 Cl4 1.788(14) y
C60 C59 1.613(12) y
C59 O1 1.456(11) y
C57 O1 1.395(11) y
C57 C58 1.516(15) y
Au1 P3 2.2702(13) y
Au1 Cu1A 2.8483(10) y
Au1 Cu1B 2.900(4) y
Cl1A Cl1B 0.61(2) y
Cl1A Cu1B 2.073(6) y
Cl1A Cu1A 2.165(4) y
Cl1B Cu1B 2.12(2) y
Cl1B Cu1A 2.17(2) y
Cu1A Cu1B 0.764(9) y
Cu1A N1 2.267(6) y
Cu1A P1 2.8778(19) y
Cu1B P2 2.823(6) y
F1 Sb1 1.883(3) y
F2 Sb1 1.851(4) y
F3 Sb1 1.843(4) y
F4 Sb1 1.876(3) y
F5 Sb1 1.873(4) y
F6 Sb1 1.873(4) y
