#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:14:08 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179915 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/10/7021034.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_7021034
loop_
_publ_author_name
'Bojan, R. Vilma'
'Czerwieniec, Rafal'
'Laguna, Antonio'
'Lasanta, Tania'
'López-de-Luzuriaga, José M'
'Monge, Miguel'
'Olmos, M. Elena'
'Yersin, Harmut'
_publ_section_title
;
 Luminescent gold-silver complexes derived from neutral
 bis(perfluoroaryl)diphosphine gold(i) precursors.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4267
_journal_page_last               4277
_journal_paper_doi               10.1039/c2dt32973e
_journal_volume                  42
_journal_year                    2013
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C56 H29 Ag2 Au2 Br2 F22 O5 P2'
_chemical_formula_sum            'C56 H29 Ag2 Au2 Br2 F22 O5 P2'
_chemical_formula_weight         2031.22
_chemical_name_common            'TLC-212 (CH2Cl2/hexano)'
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     Patterson
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2009-05-27T18:09:11-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                91.369(2)
_cell_angle_beta                 110.783(2)
_cell_angle_gamma                92.023(2)
_cell_formula_units_Z            2
_cell_length_a                   13.0125(6)
_cell_length_b                   14.8392(5)
_cell_length_c                   17.5999(7)
_cell_measurement_reflns_used    8512
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.11
_cell_measurement_theta_min      1.81
_cell_measurement_wavelength     0.71073
_cell_volume                     3172.9(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV, 1997-2004)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Bruker AXS Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.163784E-1
_diffrn_orient_matrix_UB_12      0.626321E-1
_diffrn_orient_matrix_UB_13      0.247702E-1
_diffrn_orient_matrix_UB_21      0.479977E-1
_diffrn_orient_matrix_UB_22      0.130383E-1
_diffrn_orient_matrix_UB_23      -0.323223E-1
_diffrn_orient_matrix_UB_31      -0.648018E-1
_diffrn_orient_matrix_UB_32      0.214731E-1
_diffrn_orient_matrix_UB_33      -0.451738E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0627
_diffrn_reflns_av_unetI/netI     0.0561
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            47997
_diffrn_reflns_theta_full        28.11
_diffrn_reflns_theta_max         28.11
_diffrn_reflns_theta_min         1.81
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    6.637
_exptl_absorpt_correction_T_max  0.2534
_exptl_absorpt_correction_T_min  0.2011
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.126
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1910
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         4.815
_refine_diff_density_min         -1.604
_refine_diff_density_rms         0.204
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     798
_refine_ls_number_reflns         14985
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0822
_refine_ls_R_factor_gt           0.0576
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0708P)²+25.7237P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1416
_refine_ls_wR_factor_ref         0.1558
_reflns_number_gt                11386
_reflns_number_total             14985
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32973e.txt
_cod_data_source_block           ele111
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7021034
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.62568(3) 0.79526(2) 0.44007(2) 0.03310(10) Uani 1 1 d . . .
Au2 Au 0.84333(3) 0.71067(2) 0.49388(2) 0.03587(10) Uani 1 1 d . . .
Ag1 Ag 0.49950(6) 0.94946(5) 0.43095(4) 0.04021(17) Uani 1 1 d . . .
Ag2 Ag 0.93358(7) 0.54320(5) 0.53941(5) 0.0499(2) Uani 1 1 d . . .
C1 C 0.6509(7) 0.8434(6) 0.5559(5) 0.0341(18) Uani 1 1 d . . .
C2 C 0.7358(7) 0.9043(6) 0.5964(5) 0.0351(19) Uani 1 1 d . . .
C3 C 0.7555(7) 0.9386(6) 0.6750(5) 0.0345(18) Uani 1 1 d . . .
C4 C 0.6854(7) 0.9127(6) 0.7156(5) 0.0347(18) Uani 1 1 d . . .
C5 C 0.6019(7) 0.8495(6) 0.6764(5) 0.0341(18) Uani 1 1 d . . .
C6 C 0.5867(7) 0.8164(6) 0.5992(5) 0.0344(18) Uani 1 1 d . . .
F1 F 0.8076(4) 0.9343(3) 0.5606(3) 0.0387(11) Uani 1 1 d . . .
F2 F 0.8401(4) 0.9975(4) 0.7109(3) 0.0433(12) Uani 1 1 d . . .
F3 F 0.5322(4) 0.8226(4) 0.7139(3) 0.0410(12) Uani 1 1 d . . .
F4 F 0.5004(4) 0.7565(3) 0.5646(3) 0.0406(12) Uani 1 1 d . . .
C11 C 0.7011(7) 0.9546(6) 0.7971(5) 0.0364(19) Uani 1 1 d . . .
C12 C 0.7141(7) 0.9017(7) 0.8644(5) 0.038(2) Uani 1 1 d . . .
C13 C 0.7307(8) 0.9422(7) 0.9397(6) 0.046(2) Uani 1 1 d . . .
C14 C 0.7375(8) 1.0339(7) 0.9512(6) 0.042(2) Uani 1 1 d . . .
C15 C 0.7233(8) 1.0860(6) 0.8848(6) 0.042(2) Uani 1 1 d . . .
C16 C 0.7049(7) 1.0474(6) 0.8101(5) 0.0365(19) Uani 1 1 d . . .
F5 F 0.7148(5) 0.8121(4) 0.8577(3) 0.0463(13) Uani 1 1 d . . .
F6 F 0.7454(5) 0.8887(4) 1.0037(3) 0.0524(14) Uani 1 1 d . . .
Br1 Br 0.76043(9) 1.08880(8) 1.05268(6) 0.0547(3) Uani 1 1 d . . .
F7 F 0.7259(5) 1.1770(4) 0.8925(3) 0.0543(15) Uani 1 1 d . . .
F8 F 0.6881(5) 1.0999(4) 0.7459(3) 0.0454(13) Uani 1 1 d . . .
C21 C 0.8760(8) 0.7080(6) 0.6165(5) 0.0367(19) Uani 1 1 d . . .
C22 C 0.9746(7) 0.7492(6) 0.6694(6) 0.0367(19) Uani 1 1 d . . .
C23 C 0.9980(7) 0.7555(5) 0.7523(5) 0.0342(18) Uani 1 1 d . . .
C24 C 0.9264(7) 0.7228(5) 0.7878(5) 0.0328(18) Uani 1 1 d . . .
C25 C 0.8285(7) 0.6813(5) 0.7360(6) 0.0347(18) Uani 1 1 d . . .
C26 C 0.8067(7) 0.6746(6) 0.6530(5) 0.0338(18) Uani 1 1 d . . .
F9 F 1.0475(4) 0.7855(4) 0.6399(3) 0.0422(12) Uani 1 1 d . . .
F10 F 1.0965(4) 0.7947(4) 0.7998(3) 0.0421(12) Uani 1 1 d . . .
F11 F 0.7551(4) 0.6473(4) 0.7666(3) 0.0449(13) Uani 1 1 d . . .
F12 F 0.7099(4) 0.6312(4) 0.6076(3) 0.0434(12) Uani 1 1 d . . .
C31 C 0.9515(7) 0.7349(6) 0.8764(5) 0.0334(18) Uani 1 1 d . . .
C32 C 0.9688(7) 0.8188(6) 0.9141(6) 0.0361(19) Uani 1 1 d . . .
C33 C 0.9911(8) 0.8304(6) 0.9967(6) 0.040(2) Uani 1 1 d . . .
C34 C 0.9977(9) 0.7586(7) 1.0446(6) 0.047(2) Uani 1 1 d . . .
C35 C 0.9794(8) 0.6724(6) 1.0071(6) 0.043(2) Uani 1 1 d . . .
C36 C 0.9578(8) 0.6612(6) 0.9264(6) 0.043(2) Uani 1 1 d . . .
F13 F 0.9607(4) 0.8920(3) 0.8697(3) 0.0431(12) Uani 1 1 d . . .
F14 F 1.0048(5) 0.9144(4) 1.0302(4) 0.0519(14) Uani 1 1 d . . .
Br2 Br 1.02562(12) 0.77588(9) 1.15545(7) 0.0667(3) Uani 1 1 d . . .
F15 F 0.9842(6) 0.5989(4) 1.0512(4) 0.0623(17) Uani 1 1 d . . .
F16 F 0.9433(5) 0.5771(3) 0.8928(3) 0.0497(14) Uani 1 1 d . . .
P1 P 0.5855(2) 0.75101(17) 0.30693(14) 0.0391(5) Uani 1 1 d . . .
P2 P 0.8268(2) 0.71415(15) 0.36090(15) 0.0371(5) Uani 1 1 d . . .
C7 C 0.6885(8) 0.6794(6) 0.2915(6) 0.041(2) Uani 1 1 d . . .
H7A H 0.672 0.6172 0.3004 0.05 Uiso 1 1 calc R . .
H7B H 0.6855 0.6831 0.2358 0.05 Uiso 1 1 calc R . .
C41 C 0.5754(7) 0.8460(7) 0.2411(5) 0.040(2) Uani 1 1 d . . .
C42 C 0.5390(9) 0.8330(9) 0.1561(7) 0.057(3) Uani 1 1 d . . .
H42 H 0.5184 0.7756 0.132 0.068 Uiso 1 1 calc R . .
C43 C 0.5343(9) 0.9061(10) 0.1096(7) 0.065(3) Uani 1 1 d . . .
H43 H 0.5118 0.8971 0.0535 0.078 Uiso 1 1 calc R . .
C44 C 0.5609(9) 0.9908(10) 0.1417(8) 0.067(4) Uani 1 1 d . . .
H44 H 0.5552 1.039 0.1079 0.08 Uiso 1 1 calc R . .
C45 C 0.5972(8) 1.0062(8) 0.2263(8) 0.056(3) Uani 1 1 d . . .
H45 H 0.6164 1.0643 0.2492 0.067 Uiso 1 1 calc R . .
C46 C 0.6040(8) 0.9326(6) 0.2754(6) 0.042(2) Uani 1 1 d . . .
H46 H 0.628 0.9417 0.3315 0.051 Uiso 1 1 calc R . .
C51 C 0.4567(9) 0.6846(8) 0.2627(6) 0.055(3) Uani 1 1 d . . .
C52 C 0.3732(9) 0.7048(8) 0.2908(7) 0.055(3) Uani 1 1 d . . .
H52 H 0.3861 0.7486 0.3322 0.066 Uiso 1 1 calc R . .
C53 C 0.2720(12) 0.6612(10) 0.2585(9) 0.079(4) Uani 1 1 d . . .
H53 H 0.2151 0.676 0.2762 0.095 Uiso 1 1 calc R . .
C54 C 0.2566(13) 0.5956(12) 0.1998(9) 0.091(5) Uani 1 1 d . . .
H54 H 0.1884 0.5648 0.1787 0.109 Uiso 1 1 calc R . .
C55 C 0.3351(14) 0.5733(11) 0.1709(10) 0.093(5) Uani 1 1 d . . .
H55 H 0.3221 0.5281 0.1306 0.112 Uiso 1 1 calc R . .
C56 C 0.4378(12) 0.6205(10) 0.2035(8) 0.078(4) Uani 1 1 d . . .
H56 H 0.4934 0.6072 0.1838 0.094 Uiso 1 1 calc R . .
C61 C 0.8552(7) 0.8253(6) 0.3319(6) 0.0355(19) Uani 1 1 d . . .
C62 C 0.8466(8) 0.8411(7) 0.2522(6) 0.042(2) Uani 1 1 d . . .
H62 H 0.8261 0.794 0.2132 0.051 Uiso 1 1 calc R . .
C63 C 0.8684(9) 0.9258(7) 0.2316(7) 0.051(3) Uani 1 1 d . . .
H63 H 0.8612 0.9365 0.1781 0.061 Uiso 1 1 calc R . .
C64 C 0.9017(9) 0.9973(7) 0.2908(7) 0.050(2) Uani 1 1 d . . .
H64 H 0.9185 1.0545 0.2768 0.06 Uiso 1 1 calc R . .
C65 C 0.9090(8) 0.9823(6) 0.3684(7) 0.050(3) Uani 1 1 d . . .
H65 H 0.9292 1.0296 0.4072 0.06 Uiso 1 1 calc R . .
C66 C 0.8866(8) 0.8968(6) 0.3898(6) 0.041(2) Uani 1 1 d . . .
H66 H 0.8924 0.8867 0.4431 0.05 Uiso 1 1 calc R . .
C71 C 0.9195(10) 0.6402(6) 0.3341(7) 0.051(3) Uani 1 1 d . . .
C72 C 0.8883(12) 0.5870(7) 0.2629(7) 0.064(3) Uani 1 1 d . . .
H72 H 0.8163 0.5876 0.2262 0.077 Uiso 1 1 calc R . .
C73 C 0.9599(16) 0.5352(9) 0.2463(10) 0.080(5) Uani 1 1 d . . .
H73 H 0.9373 0.4989 0.1989 0.097 Uiso 1 1 calc R . .
C74 C 1.0643(17) 0.5353(8) 0.2979(12) 0.096(6) Uani 1 1 d . . .
H74 H 1.1139 0.4996 0.2854 0.115 Uiso 1 1 calc R . .
C75 C 1.1005(12) 0.5887(8) 0.3708(11) 0.083(5) Uani 1 1 d . . .
H75 H 1.1733 0.5887 0.406 0.099 Uiso 1 1 calc R . .
C76 C 1.0253(10) 0.6414(7) 0.3892(8) 0.057(3) Uani 1 1 d . . .
H76 H 1.046 0.6763 0.4373 0.069 Uiso 1 1 calc R . .
O1 O 0.6206(6) 1.0571(5) 0.4353(5) 0.0503(17) Uani 1 1 d . A .
O2 O 0.6509(5) 1.1126(4) 0.5616(5) 0.0483(17) Uani 1 1 d . . .
C8 C 0.6688(8) 1.1058(7) 0.4969(8) 0.051(3) Uani 1 1 d . . .
C9A C 0.7631(14) 1.1701(11) 0.4944(10) 0.086(4) Uiso 0.6 1 d PD A 1
F17A F 0.7497(9) 1.2550(7) 0.5162(8) 0.057(3) Uiso 0.6 1 d PD A 1
F18A F 0.8560(11) 1.1412(9) 0.5269(9) 0.077(3) Uiso 0.6 1 d PD A 1
F19A F 0.7605(13) 1.1679(10) 0.4115(9) 0.093(4) Uiso 0.6 1 d PD A 1
C9B C 0.7631(14) 1.1701(11) 0.4944(10) 0.086(4) Uiso 0.4 1 d PD A 2
F17B F 0.7452(12) 1.2461(10) 0.4773(10) 0.047(3) Uiso 0.4 1 d PD A 2
F18B F 0.8518(14) 1.1640(12) 0.5830(11) 0.065(4) Uiso 0.4 1 d PD A 2
F19B F 0.832(2) 1.1359(16) 0.4688(17) 0.099(7) Uiso 0.4 1 d PD A 2
O3 O 1.0988(6) 0.5962(4) 0.6172(5) 0.0535(18) Uani 1 1 d . B .
O4 O 1.2045(7) 0.5128(6) 0.5699(7) 0.083(3) Uani 1 1 d . . .
C18 C 1.1866(10) 0.5681(7) 0.6161(8) 0.060(3) Uani 1 1 d . . .
C19A C 1.2936(14) 0.6076(11) 0.6837(10) 0.084(4) Uiso 0.7 1 d PD B 1
F20A F 1.3264(10) 0.5488(8) 0.7461(8) 0.079(3) Uiso 0.7 1 d PD B 1
F21A F 1.2808(11) 0.6830(9) 0.7140(8) 0.089(3) Uiso 0.7 1 d PD B 1
F22A F 1.3727(12) 0.6307(10) 0.6470(9) 0.102(4) Uiso 0.7 1 d PD B 1
C19B C 1.2936(14) 0.6076(11) 0.6837(10) 0.084(4) Uiso 0.3 1 d PD B 2
F21B F 1.340(3) 0.659(2) 0.6726(19) 0.087(8) Uiso 0.3 1 d PD B 2
F22B F 1.248(2) 0.6538(17) 0.7483(15) 0.073(6) Uiso 0.3 1 d PD B 2
F20B F 1.3515(13) 0.5463(10) 0.7217(9) 0.025(3) Uiso 0.3 1 d PD B 2
C81 C 1.2353(18) 0.6255(17) 0.9486(15) 0.064(6) Uiso 0.5 1 d PD . .
H81A H 1.2371 0.6624 0.9946 0.095 Uiso 0.5 1 calc PR . .
H81B H 1.1993 0.5681 0.9492 0.095 Uiso 0.5 1 calc PR . .
H81C H 1.1956 0.6549 0.8994 0.095 Uiso 0.5 1 calc PR . .
C82 C 1.352(2) 0.6116(18) 0.9524(18) 0.077(7) Uiso 0.5 1 d PD . .
H82A H 1.3928 0.5882 1.005 0.092 Uiso 0.5 1 calc PR . .
H82B H 1.3491 0.5659 0.9114 0.092 Uiso 0.5 1 calc PR . .
C83 C 1.4117(18) 0.6906(17) 0.9407(17) 0.073(7) Uiso 0.5 1 d PD . .
H83A H 1.421 0.7334 0.9854 0.087 Uiso 0.5 1 calc PR . .
H83B H 1.3658 0.7179 0.8914 0.087 Uiso 0.5 1 calc PR . .
C84 C 1.5263(18) 0.6786(19) 0.9344(16) 0.075(7) Uiso 0.5 1 d PD . .
H84A H 1.5214 0.6292 0.896 0.09 Uiso 0.5 1 calc PR . .
H84B H 1.5491 0.733 0.9141 0.09 Uiso 0.5 1 calc PR . .
C85 C 1.611(2) 0.659(2) 1.0152(16) 0.078(8) Uiso 0.5 1 d PD . .
H85A H 1.6159 0.709 1.0536 0.094 Uiso 0.5 1 calc PR . .
H85B H 1.5877 0.6052 1.0357 0.094 Uiso 0.5 1 calc PR . .
C86 C 1.713(2) 0.6484(19) 1.0093(17) 0.073(7) Uiso 0.5 1 d PD . .
H86A H 1.7079 0.6552 0.954 0.11 Uiso 0.5 1 calc PR . .
H86B H 1.7371 0.5892 1.0261 0.11 Uiso 0.5 1 calc PR . .
H86C H 1.7651 0.693 1.0438 0.11 Uiso 0.5 1 calc PR . .
O5 O 0.4897(7) 0.5505(5) 0.4266(5) 0.062(2) Uiso 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 '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'
Br Br -0.2901 2.4595 '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 0.006 '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'
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
C1 Au1 P1 174.8(2) . . ?
C1 Au1 Ag1 71.2(2) . . ?
P1 Au1 Ag1 103.67(7) . . ?
C1 Au1 Au2 91.9(2) . . ?
P1 Au1 Au2 93.00(7) . . ?
Ag1 Au1 Au2 149.85(2) . . ?
C21 Au2 P2 173.9(3) . . ?
C21 Au2 Ag2 75.1(2) . . ?
P2 Au2 Ag2 102.53(6) . . ?
C21 Au2 Au1 100.1(3) . . ?
P2 Au2 Au1 85.32(6) . . ?
Ag2 Au2 Au1 139.90(2) . . ?
O2 Ag1 O1 157.7(2) 2_676 . ?
O2 Ag1 Ag1 83.00(19) 2_676 2_676 ?
O1 Ag1 Ag1 80.04(19) . 2_676 ?
O2 Ag1 Au1 100.64(17) 2_676 . ?
O1 Ag1 Au1 100.77(17) . . ?
Ag1 Ag1 Au1 123.30(4) 2_676 . ?
O3 Ag2 O4 160.3(3) . 2_766 ?
O3 Ag2 C75 101.0(4) . 2_766 ?
O4 Ag2 C75 91.1(5) 2_766 2_766 ?
O3 Ag2 Au2 96.59(18) . . ?
O4 Ag2 Au2 85.4(2) 2_766 . ?
C75 Ag2 Au2 134.7(2) 2_766 . ?
O3 Ag2 Ag2 79.6(2) . 2_766 ?
O4 Ag2 Ag2 82.8(2) 2_766 2_766 ?
C75 Ag2 Ag2 101.6(3) 2_766 2_766 ?
Au2 Ag2 Ag2 122.49(4) . 2_766 ?
C6 C1 C2 115.0(8) . . ?
C6 C1 Au1 123.1(7) . . ?
C2 C1 Au1 121.8(6) . . ?
F1 C2 C1 120.5(8) . . ?
F1 C2 C3 116.0(8) . . ?
C1 C2 C3 123.5(8) . . ?
F2 C3 C4 120.0(8) . . ?
F2 C3 C2 120.2(8) . . ?
C4 C3 C2 119.8(8) . . ?
C5 C4 C3 117.0(8) . . ?
C5 C4 C11 123.0(8) . . ?
C3 C4 C11 119.9(8) . . ?
F3 C5 C6 120.2(8) . . ?
F3 C5 C4 118.7(8) . . ?
C6 C5 C4 121.1(8) . . ?
F4 C6 C1 119.7(8) . . ?
F4 C6 C5 116.8(8) . . ?
C1 C6 C5 123.5(8) . . ?
C16 C11 C12 116.9(8) . . ?
C16 C11 C4 121.8(8) . . ?
C12 C11 C4 121.3(8) . . ?
F5 C12 C13 119.1(8) . . ?
F5 C12 C11 120.7(8) . . ?
C13 C12 C11 120.1(9) . . ?
F6 C13 C14 120.0(9) . . ?
F6 C13 C12 118.3(9) . . ?
C14 C13 C12 121.6(9) . . ?
C13 C14 C15 118.3(9) . . ?
C13 C14 Br1 121.7(7) . . ?
C15 C14 Br1 120.0(7) . . ?
F7 C15 C16 118.5(8) . . ?
F7 C15 C14 120.5(8) . . ?
C16 C15 C14 121.0(9) . . ?
F8 C16 C15 119.8(8) . . ?
F8 C16 C11 118.2(8) . . ?
C15 C16 C11 122.0(9) . . ?
C26 C21 C22 115.1(8) . . ?
C26 C21 Au2 126.1(7) . . ?
C22 C21 Au2 118.6(7) . . ?
F9 C22 C23 118.5(8) . . ?
F9 C22 C21 120.0(8) . . ?
C23 C22 C21 121.4(8) . . ?
F10 C23 C24 119.5(8) . . ?
F10 C23 C22 117.9(8) . . ?
C24 C23 C22 122.6(8) . . ?
C23 C24 C25 116.6(8) . . ?
C23 C24 C31 121.1(8) . . ?
C25 C24 C31 122.2(8) . . ?
F11 C25 C26 120.1(8) . . ?
F11 C25 C24 119.8(8) . . ?
C26 C25 C24 120.1(8) . . ?
F12 C26 C21 120.1(8) . . ?
F12 C26 C25 115.8(8) . . ?
C21 C26 C25 124.1(8) . . ?
C32 C31 C36 116.2(8) . . ?
C32 C31 C24 121.8(8) . . ?
C36 C31 C24 122.0(8) . . ?
F13 C32 C31 119.3(8) . . ?
F13 C32 C33 118.8(8) . . ?
C31 C32 C33 121.9(8) . . ?
F14 C33 C34 119.3(9) . . ?
F14 C33 C32 119.3(8) . . ?
C34 C33 C32 121.4(9) . . ?
C33 C34 C35 117.5(9) . . ?
C33 C34 Br2 120.6(8) . . ?
C35 C34 Br2 121.8(7) . . ?
F15 C35 C36 118.8(9) . . ?
F15 C35 C34 120.2(8) . . ?
C36 C35 C34 121.0(9) . . ?
F16 C36 C35 119.2(8) . . ?
F16 C36 C31 118.8(8) . . ?
C35 C36 C31 122.0(9) . . ?
C51 P1 C41 106.0(5) . . ?
C51 P1 C7 104.3(5) . . ?
C41 P1 C7 105.9(4) . . ?
C51 P1 Au1 113.9(4) . . ?
C41 P1 Au1 112.8(3) . . ?
C7 P1 Au1 113.2(3) . . ?
C61 P2 C7 105.9(4) . . ?
C61 P2 C71 105.7(4) . . ?
C7 P2 C71 105.4(5) . . ?
C61 P2 Au2 112.5(3) . . ?
C7 P2 Au2 112.7(3) . . ?
C71 P2 Au2 113.8(4) . . ?
P2 C7 P1 111.0(5) . . ?
C46 C41 C42 119.2(9) . . ?
C46 C41 P1 119.6(7) . . ?
C42 C41 P1 121.2(8) . . ?
C43 C42 C41 119.0(12) . . ?
C44 C43 C42 122.6(12) . . ?
C43 C44 C45 120.0(11) . . ?
C46 C45 C44 118.6(11) . . ?
C41 C46 C45 120.6(10) . . ?
C56 C51 C52 119.2(11) . . ?
C56 C51 P1 124.0(10) . . ?
C52 C51 P1 116.7(8) . . ?
C53 C52 C51 120.8(13) . . ?
C54 C53 C52 118.3(15) . . ?
C55 C54 C53 123.1(14) . . ?
C54 C55 C56 117.7(14) . . ?
C51 C56 C55 120.8(14) . . ?
C62 C61 C66 119.3(9) . . ?
C62 C61 P2 120.8(7) . . ?
C66 C61 P2 119.9(7) . . ?
C63 C62 C61 119.8(9) . . ?
C62 C63 C64 120.4(10) . . ?
C65 C64 C63 119.9(9) . . ?
C64 C65 C66 120.1(10) . . ?
C65 C66 C61 120.5(9) . . ?
C76 C71 C72 120.9(10) . . ?
C76 C71 P2 115.3(9) . . ?
C72 C71 P2 123.7(10) . . ?
C73 C72 C71 120.9(15) . . ?
C72 C73 C74 120.1(15) . . ?
C73 C74 C75 121.2(12) . . ?
C76 C75 C74 118.9(15) . . ?
C76 C75 Ag2 90.9(7) . 2_766 ?
C74 C75 Ag2 94.3(7) . 2_766 ?
C71 C76 C75 117.9(13) . . ?
C8 O1 Ag1 123.2(7) . . ?
C8 O2 Ag1 119.5(7) . 2_676 ?
O1 C8 O2 129.4(9) . . ?
O1 C8 C9A 117.2(11) . . ?
O2 C8 C9A 113.4(11) . . ?
F18A C9A F17A 116.1(15) . . ?
F18A C9A F19A 97.7(14) . . ?
F17A C9A F19A 109.1(14) . . ?
F18A C9A C8 114.3(14) . . ?
F17A C9A C8 111.1(13) . . ?
F19A C9A C8 107.3(13) . . ?
C18 O3 Ag2 125.4(7) . . ?
C18 O4 Ag2 120.0(8) . 2_766 ?
O4 C18 O3 130.4(11) . . ?
O4 C18 C19A 113.1(12) . . ?
O3 C18 C19A 116.5(11) . . ?
F21A C19A F20A 107.3(14) . . ?
F21A C19A F22A 102.4(15) . . ?
F20A C19A F22A 116.2(14) . . ?
F21A C19A C18 113.1(14) . . ?
F20A C19A C18 109.3(13) . . ?
F22A C19A C18 108.6(13) . . ?
C83 C82 C81 116(2) . . ?
C82 C83 C84 118(2) . . ?
C85 C84 C83 111(2) . . ?
C86 C85 C84 111(2) . . ?
data for compound 40.5CH2Cl2 in the paper:
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.052(8) .
Au1 P1 2.287(2) .
Au1 Ag1 2.8377(7) .
Au1 Au2 2.9830(5) .
Au2 C21 2.047(9) .
Au2 P2 2.275(2) .
Au2 Ag2 2.7984(8) .
Ag1 O2 2.181(7) 2_676
Ag1 O1 2.184(8) .
Ag1 Ag1 2.8214(14) 2_676
Ag2 O3 2.204(8) .
Ag2 O4 2.233(9) 2_766
Ag2 C75 2.666(12) 2_766
Ag2 Ag2 2.8860(16) 2_766
C1 C6 1.373(12) .
C1 C2 1.373(13) .
C2 F1 1.367(10) .
C2 C3 1.394(12) .
C3 F2 1.337(10) .
C3 C4 1.394(12) .
C4 C5 1.379(13) .
C4 C11 1.492(12) .
C5 F3 1.354(9) .
C5 C6 1.377(12) .
C6 F4 1.356(10) .
C11 C16 1.388(13) .
C11 C12 1.400(13) .
C12 F5 1.332(11) .
C12 C13 1.383(13) .
C13 F6 1.355(11) .
C13 C14 1.365(14) .
C14 C15 1.377(14) .
C14 Br1 1.866(9) .
C15 F7 1.352(11) .
C15 C16 1.357(12) .
C16 F8 1.346(10) .
C21 C26 1.366(13) .
C21 C22 1.400(13) .
C22 F9 1.336(10) .
C22 C23 1.380(12) .
C23 F10 1.359(10) .
C23 C24 1.375(12) .
C24 C25 1.388(12) .
C24 C31 1.480(12) .
C25 F11 1.341(10) .
C25 C26 1.388(12) .
C26 F12 1.358(10) .
C31 C32 1.371(12) .
C31 C36 1.407(12) .
C32 F13 1.339(10) .
C32 C33 1.383(13) .
C33 F14 1.344(10) .
C33 C34 1.361(14) .
C34 C35 1.398(14) .
C34 Br2 1.862(10) .
C35 F15 1.345(10) .
C35 C36 1.351(13) .
C36 F16 1.346(11) .
P1 C51 1.819(10) .
P1 C41 1.824(9) .
P1 C7 1.828(10) .
P2 C61 1.803(9) .
P2 C7 1.828(10) .
P2 C71 1.832(9) .
C41 C46 1.388(14) .
C41 C42 1.406(14) .
C42 C43 1.365(16) .
C43 C44 1.347(19) .
C44 C45 1.403(18) .
C45 C46 1.394(14) .
C51 C56 1.343(16) .
C51 C52 1.383(16) .
C52 C53 1.367(16) .
C53 C54 1.36(2) .
C54 C55 1.34(2) .
C55 C56 1.406(19) .
C61 C62 1.394(13) .
C61 C66 1.396(13) .
C62 C63 1.365(13) .
C63 C64 1.413(15) .
C64 C65 1.359(16) .
C65 C66 1.383(13) .
C71 C76 1.373(17) .
C71 C72 1.388(16) .
C72 C73 1.334(16) .
C73 C74 1.34(2) .
C74 C75 1.41(2) .
C75 C76 1.393(15) .
C75 Ag2 2.666(12) 2_766
O1 C8 1.240(14) .
O2 C8 1.243(14) .
O2 Ag1 2.181(7) 2_676
C8 C9A 1.541(19) .
C9A F18A 1.237(19) .
C9A F17A 1.344(18) .
C9A F19A 1.45(2) .
O3 C18 1.235(14) .
O4 C18 1.227(14) .
O4 Ag2 2.233(9) 2_766
C18 C19A 1.56(2) .
C19A F21A 1.268(18) .
C19A F20A 1.375(19) .
C19A F22A 1.43(2) .
C81 C82 1.51(3) .
C82 C83 1.44(3) .
C83 C84 1.55(3) .
C84 C85 1.50(3) .
C85 C86 1.39(3) .
