#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/96/4079651.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_4079651
loop_
_publ_author_name
'Savjani, Nicky'
'Wilkinson, Luke A.'
'Hughes, David L.'
'Schormann, Mark'
'Bochmann, Manfred'
_publ_section_title
;
 Synthesis, Structure, and Luminescent Behavior of Anionic Oligomeric and
 Polymeric Ag2Au2Clusters
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              7600
_journal_paper_doi               10.1021/om300911h
_journal_volume                  31
_journal_year                    2012
_chemical_formula_moiety
'N C16 H36, C26 Ag2 Au2 F23 O2, ca 1.25(C H2 Cl2)'
_chemical_formula_structural     'an Au/Ag ribbon structure'
_chemical_formula_sum            'C43.25 H38.5 Ag2 Au2 Cl2.5 F23 N O2'
_chemical_formula_weight         1739.55
_chemical_name_common            'Compound 2A'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           70
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-F 2uv 2vw'
_symmetry_space_group_name_H-M   'F d d d :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            32
_cell_length_a                   21.737(3)
_cell_length_b                   43.490(9)
_cell_length_c                   44.520(9)
_cell_measurement_reflns_used    25386
_cell_measurement_temperature    100
_cell_measurement_theta_max      31.3
_cell_measurement_theta_min      2.5
_cell_volume                     42087(13)
_computing_cell_refinement
;
CrystalClear-SM Expert 2.0 r13 (Rigaku, 2011)
;
_computing_data_collection
; 
CrystalClear-SM Expert 2.0 r13 (Rigaku, 2011)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.0 r13 (Rigaku, 2011)
;
_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 1997)'
_computing_publication_material
'SHELXL-97 (Sheldrick, 2008) and WINGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100
_diffrn_detector                 CCD
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'AFC12 (Right): Kappa 3 circle'
_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
_diffrn_measurement_method       'profile data from ω-scans'
_diffrn_measurement_specimen_support Mitegen
_diffrn_radiation_monochromator  Confocal
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0855
_diffrn_reflns_av_sigmaI/netI    0.0403
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       51
_diffrn_reflns_limit_k_min       -51
_diffrn_reflns_limit_l_max       52
_diffrn_reflns_limit_l_min       -52
_diffrn_reflns_number            95596
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.52
_diffrn_source                   'Rotating Anode'
_diffrn_source_current           55.0
_diffrn_source_power             2.5
_diffrn_source_voltage           45.0
_exptl_absorpt_coefficient_mu    6.539
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.645
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.196
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             26320
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.145
_refine_diff_density_min         -1.026
_refine_diff_density_rms         0.178
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.332
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     692
_refine_ls_number_reflns         9265
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.332
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0789
_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)+(0.0000P)²+4101.4717P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1508
_refine_ls_wR_factor_ref         0.1518
_reflns_number_gt                9044
_reflns_number_total             9265
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om300911h_si_002.cif
_cod_data_source_block           newd
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' 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      Fddd
_cod_original_formula_sum        'C43.25 H38.50 Ag2 Au2 Cl2.50 F23 N O2'
_cod_database_code               4079651
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/4, -y+1/4, z'
'x, -y+1/4, -z+1/4'
'-x+1/4, y, -z+1/4'
'x, y+1/2, z+1/2'
'-x+1/4, -y+3/4, z+1/2'
'x, -y+3/4, -z+3/4'
'-x+1/4, y+1/2, -z+3/4'
'x+1/2, y, z+1/2'
'-x+3/4, -y+1/4, z+1/2'
'x+1/2, -y+1/4, -z+3/4'
'-x+3/4, y, -z+3/4'
'x+1/2, y+1/2, z'
'-x+3/4, -y+3/4, z'
'x+1/2, -y+3/4, -z+1/4'
'-x+3/4, y+1/2, -z+1/4'
'-x, -y, -z'
'x-1/4, y-1/4, -z'
'-x, y-1/4, z-1/4'
'x-1/4, -y, z-1/4'
'-x, -y+1/2, -z+1/2'
'x-1/4, y+1/4, -z+1/2'
'-x, y+1/4, z+1/4'
'x-1/4, -y+1/2, z+1/4'
'-x+1/2, -y, -z+1/2'
'x+1/4, y-1/4, -z+1/2'
'-x+1/2, y-1/4, z+1/4'
'x+1/4, -y, z+1/4'
'-x+1/2, -y+1/2, -z'
'x+1/4, y+1/4, -z'
'-x+1/2, y+1/4, z-1/4'
'x+1/4, -y+1/2, z-1/4'
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 0.67670(3) 0.449430(13) 0.104422(13) 0.03723(15) Uani 1 1 d . . .
Au2 Au 0.83788(3) 0.403141(14) 0.074453(13) 0.04154(16) Uani 1 1 d . . .
Ag1 Ag 0.73404(5) 0.43349(2) 0.05024(2) 0.0374(3) Uani 1 1 d . . .
Ag2 Ag 0.80501(5) 0.46018(3) 0.09836(2) 0.0401(3) Uani 1 1 d . . .
C11 C 0.7162(6) 0.4842(3) 0.1295(3) 0.036(3) Uani 1 1 d . . .
C12 C 0.7083(7) 0.5153(3) 0.1206(4) 0.044(4) Uani 1 1 d . . .
C13 C 0.7309(8) 0.5398(3) 0.1381(4) 0.056(5) Uani 1 1 d . . .
C14 C 0.7628(9) 0.5339(4) 0.1642(4) 0.066(5) Uani 1 1 d . . .
C15 C 0.7706(8) 0.5037(4) 0.1737(3) 0.049(4) Uani 1 1 d . . .
C16 C 0.7488(7) 0.4803(3) 0.1566(4) 0.044(4) Uani 1 1 d . . .
F12 F 0.6789(4) 0.5219(2) 0.0950(2) 0.056(2) Uani 1 1 d . . .
F13 F 0.7205(6) 0.5689(2) 0.1286(3) 0.082(4) Uani 1 1 d . . .
F14 F 0.7838(6) 0.5577(3) 0.1806(3) 0.090(4) Uani 1 1 d . . .
F15 F 0.8007(5) 0.4985(3) 0.1992(2) 0.072(3) Uani 1 1 d . . .
F16 F 0.7569(4) 0.4518(2) 0.16725(19) 0.048(2) Uani 1 1 d . . .
C21 C 0.6382(7) 0.4150(4) 0.0782(3) 0.045(4) Uani 1 1 d . . .
C22 C 0.6439(10) 0.3841(5) 0.0849(4) 0.068(5) Uani 1 1 d . . .
C23 C 0.6113(15) 0.3621(5) 0.0698(6) 0.108(10) Uani 1 1 d . . .
C24 C 0.5739(15) 0.3697(9) 0.0458(7) 0.125(14) Uani 1 1 d . . .
C25 C 0.5683(10) 0.3996(9) 0.0381(5) 0.110(11) Uani 1 1 d . . .
C26 C 0.5991(9) 0.4214(6) 0.0535(4) 0.079(7) Uani 1 1 d . . .
F22 F 0.6804(6) 0.3758(2) 0.1067(2) 0.076(3) Uani 1 1 d . . .
F23 F 0.6170(11) 0.3325(3) 0.0769(4) 0.170(9) Uani 1 1 d . . .
F24 F 0.5434(10) 0.3478(5) 0.0309(4) 0.203(11) Uani 1 1 d . . .
F25 F 0.5297(6) 0.4083(5) 0.0146(3) 0.147(8) Uani 1 1 d . . .
F26 F 0.5918(5) 0.4519(4) 0.0449(3) 0.092(4) Uani 1 1 d . . .
C31 C 0.8704(7) 0.4168(4) 0.1164(3) 0.046(4) Uani 1 1 d . . .
C32 C 0.9259(8) 0.4319(5) 0.1206(5) 0.066(5) Uani 1 1 d . . .
C33 C 0.9517(13) 0.4369(6) 0.1487(6) 0.098(8) Uani 1 1 d . . .
C34 C 0.9187(12) 0.4284(7) 0.1738(5) 0.096(8) Uani 1 1 d . . .
C35 C 0.8654(10) 0.4128(5) 0.1720(4) 0.067(5) Uani 1 1 d . . .
C36 C 0.8415(9) 0.4073(4) 0.1430(4) 0.057(5) Uani 1 1 d . . .
F32 F 0.9578(5) 0.4423(3) 0.0961(3) 0.081(3) Uani 1 1 d . . .
F33 F 1.0060(6) 0.4516(5) 0.1512(4) 0.143(7) Uani 1 1 d . . .
F34 F 0.9436(8) 0.4342(4) 0.2015(3) 0.144(7) Uani 1 1 d . . .
F35 F 0.8368(6) 0.4037(3) 0.1962(2) 0.091(4) Uani 1 1 d . . .
F36 F 0.7879(5) 0.3923(2) 0.1417(2) 0.061(3) Uani 1 1 d . . .
C41 C 0.8037(8) 0.3923(4) 0.0324(4) 0.057(5) Uani 1 1 d . . .
C42 C 0.7671(10) 0.3675(5) 0.0273(5) 0.078(7) Uani 1 1 d . . .
C43 C 0.7527(13) 0.3579(6) -0.0029(8) 0.106(11) Uani 1 1 d . . .
C44 C 0.7781(15) 0.3717(11) -0.0258(7) 0.138(19) Uani 1 1 d . . .
C45 C 0.8157(14) 0.3968(10) -0.0227(5) 0.131(15) Uani 1 1 d . . .
C46 C 0.8285(11) 0.4055(6) 0.0056(4) 0.079(7) Uani 1 1 d . . .
F42 F 0.7431(5) 0.3513(2) 0.0502(3) 0.080(4) Uani 1 1 d . . .
F43 F 0.7145(8) 0.3324(5) -0.0054(5) 0.199(12) Uani 1 1 d . . .
F44 F 0.7622(8) 0.3608(6) -0.0540(3) 0.206(12) Uani 1 1 d . . .
F45 F 0.8399(9) 0.4096(6) -0.0467(3) 0.197(12) Uani 1 1 d . . .
F46 F 0.8674(6) 0.4303(4) 0.0089(3) 0.096(4) Uani 1 1 d . . .
C5 C 0.7946(9) 0.4985(4) 0.0402(4) 0.054(4) Uani 1 1 d . . .
O51 O 0.7635(6) 0.4793(3) 0.0286(3) 0.061(3) Uani 1 1 d . . .
O52 O 0.8202(7) 0.4994(3) 0.0656(3) 0.072(4) Uani 1 1 d . . .
C53 C 0.8140(17) 0.5274(5) 0.0207(6) 0.110(11) Uani 1 1 d . . .
F54 F 0.7886(18) 0.5263(8) -0.0052(8) 0.122(11) Uiso 0.50 1 d P . .
F55 F 0.8736(16) 0.5377(7) 0.0256(7) 0.103(9) Uiso 0.50 1 d P . .
F56 F 0.7825(12) 0.5520(6) 0.0347(6) 0.082(7) Uiso 0.50 1 d P . .
F57 F 0.8376(17) 0.5471(8) 0.0304(7) 0.106(9) Uiso 0.50 1 d P . .
F58 F 0.7562(14) 0.5433(7) 0.0140(7) 0.106(9) Uiso 0.50 1 d P . .
F59 F 0.8303(12) 0.5193(5) -0.0065(5) 0.073(6) Uiso 0.50 1 d P . .
N7 N 0.1250 0.1250 0.0430(4) 0.036(4) Uani 1 2 d S . .
C71 C 0.1816(7) 0.1228(3) 0.0642(3) 0.041(3) Uani 1 1 d . . .
H71A H 0.1798 0.1398 0.0783 0.050 Uiso 1 1 calc R . .
H71B H 0.1783 0.1039 0.0757 0.050 Uiso 1 1 calc R . .
C72 C 0.2437(7) 0.1233(4) 0.0490(4) 0.049(4) Uani 1 1 d . . .
H72A H 0.2501 0.1431 0.0395 0.058 Uiso 1 1 calc R . .
H72B H 0.2451 0.1076 0.0335 0.058 Uiso 1 1 calc R . .
C73 C 0.2942(7) 0.1175(4) 0.0719(4) 0.057(5) Uani 1 1 d . . .
H73A H 0.2894 0.1316 0.0886 0.069 Uiso 1 1 calc R . .
H73B H 0.2905 0.0967 0.0797 0.069 Uiso 1 1 calc R . .
C74 C 0.3574(8) 0.1217(5) 0.0582(5) 0.073(6) Uani 1 1 d . . .
H74A H 0.3884 0.1179 0.0731 0.110 Uiso 1 1 calc R . .
H74B H 0.3615 0.1424 0.0508 0.110 Uiso 1 1 calc R . .
H74C H 0.3625 0.1075 0.0418 0.110 Uiso 1 1 calc R . .
C75 C 0.1202(8) 0.0970(4) 0.0222(3) 0.051(4) Uani 1 1 d . B .
H75A H 0.0829 0.0989 0.0104 0.061 Uiso 1 1 calc R . .
H75B H 0.1547 0.0974 0.0084 0.061 Uiso 1 1 calc R . .
C76 C 0.1195(9) 0.0667(4) 0.0374(5) 0.068(5) Uani 1 1 d . . .
H76A H 0.0888 0.0668 0.0532 0.082 Uiso 1 1 calc R A 1
H76B H 0.1593 0.0627 0.0464 0.082 Uiso 1 1 calc R A 1
C77A C 0.1045(14) 0.0418(5) 0.0146(7) 0.119(11) Uani 0.70 1 d P B 1
H77A H 0.0642 0.0464 0.0065 0.143 Uiso 0.70 1 calc PR B 1
H77B H 0.1336 0.0439 -0.0018 0.143 Uiso 0.70 1 calc PR B 1
C78 C 0.1043(13) 0.0105(6) 0.0231(6) 0.067(7) Uiso 0.70 1 d P B 1
H78A H 0.0948 -0.0019 0.0059 0.101 Uiso 0.70 1 calc PR B 1
H78B H 0.0740 0.0073 0.0384 0.101 Uiso 0.70 1 calc PR B 1
H78C H 0.1442 0.0050 0.0306 0.101 Uiso 0.70 1 calc PR B 1
C77B C 0.1045(14) 0.0418(5) 0.0146(7) 0.119(11) Uani 0.30 1 d P B 2
H77C H 0.1179 0.0497 -0.0047 0.143 Uiso 0.30 1 calc PR B 2
H77D H 0.1315 0.0247 0.0193 0.143 Uiso 0.30 1 calc PR B 2
C79 C 0.059(4) 0.0319(18) 0.0108(17) 0.08(2) Uiso 0.30 1 d P B 2
H79A H 0.0617 0.0171 -0.0051 0.122 Uiso 0.30 1 calc PR B 2
H79B H 0.0310 0.0479 0.0055 0.122 Uiso 0.30 1 calc PR B 2
H79C H 0.0456 0.0219 0.0289 0.122 Uiso 0.30 1 calc PR B 2
N8 N 1.094(2) 0.5188(12) 0.0884(11) 0.210(18) Uiso 0.50 1 d P . .
C81 C 1.043(3) 0.5459(13) 0.0950(12) 0.103(16) Uiso 0.50 1 d P . .
C82 C 0.982(2) 0.5327(11) 0.1015(11) 0.088(13) Uiso 0.50 1 d P . .
C83 C 0.9519(19) 0.5615(9) 0.1075(9) 0.166(13) Uiso 0.50 1 d P . .
C84 C 0.884(4) 0.5580(17) 0.1220(18) 0.13(3) Uiso 0.50 1 d P . .
C85 C 1.069(3) 0.4898(13) 0.0673(13) 0.089(14) Uiso 0.50 1 d P . .
C86 C 1.044(3) 0.5049(13) 0.0363(13) 0.106(17) Uiso 0.50 1 d P . .
C87 C 1.006(4) 0.4754(19) 0.0244(19) 0.13(3) Uiso 0.40 1 d P . .
C88 C 0.998(3) 0.4895(15) -0.0109(15) 0.11(2) Uiso 0.40 1 d P . .
C89 C 1.148(2) 0.5349(11) 0.0736(11) 0.086(13) Uiso 0.50 1 d P . .
C90 C 1.203(4) 0.510(2) 0.0771(19) 0.18(3) Uiso 0.50 1 d P . .
C91 C 1.2471(19) 0.5348(9) 0.0552(9) 0.177(15) Uiso 0.50 1 d P . .
C92 C 1.307(3) 0.5134(14) 0.0637(14) 0.093(16) Uiso 0.50 1 d P . .
C93 C 1.107(3) 0.5003(12) 0.1207(16) 0.110(19) Uiso 0.50 1 d P . .
C94 C 1.111(6) 0.523(2) 0.144(2) 0.22(5) Uiso 0.50 1 d P . .
C95 C 1.156(2) 0.5188(12) 0.1616(11) 0.210(18) Uiso 0.50 1 d P . .
C97 C 1.131(5) 0.495(2) 0.180(2) 0.20(4) Uiso 0.50 1 d P . .
C101 C 1.310(4) 0.5115(19) 0.046(2) 0.14(3) Uiso 0.50 1 d P . .
C102 C 1.083(8) 0.508(3) 0.048(4) 0.11(4) Uiso 0.20 1 d P . .
C103 C 1.075(7) 0.477(3) 0.086(3) 0.16(5) Uiso 0.30 1 d P . .
C1 C 1.357(2) 0.5430(11) 0.1477(11) 0.109(15) Uiso 0.60 1 d P . .
Cl11 Cl 1.3463(7) 0.5077(3) 0.1292(3) 0.119(5) Uani 0.50 1 d P . .
Cl12 Cl 1.3590(11) 0.5720(4) 0.1199(4) 0.093(6) Uani 0.35 1 d P . .
Cl13 Cl 1.2981(19) 0.5615(9) 0.1425(9) 0.166(13) Uiso 0.15 1 d P . .
C2 C 0.940(3) 0.5297(14) 0.2200(14) 0.110(18) Uiso 0.50 1 d P . .
Cl21 Cl 0.9259(4) 0.5626(2) 0.2382(2) 0.065(2) Uani 0.50 1 d P . .
Cl22 Cl 0.9718(17) 0.5369(8) 0.1850(8) 0.135(11) Uiso 0.30 1 d P . .
Cl23 Cl 1.0029(19) 0.5348(9) 0.1948(9) 0.177(15) Uiso 0.20 1 d P . .
Cl31 Cl 1.2141(18) 0.6462(8) 0.1262(9) 0.143(12) Uiso 0.25 1 d P . .
C3 C 1.1561(11) 0.6206(7) 0.1127(5) 0.132(9) Uiso 0.25 1 d P . .
Cl32 Cl 1.0939(11) 0.6206(7) 0.1373(5) 0.132(9) Uiso 0.25 1 d P . .
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'
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'
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'
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
C11 Au1 C21 178.3(6) . .
C11 Au1 Ag1 117.4(4) . .
C21 Au1 Ag1 61.1(4) . .
C11 Au1 Ag2 61.5(4) . .
C21 Au1 Ag2 117.5(4) . .
Ag1 Au1 Ag2 61.46(3) . .
C11 Au1 Au1 88.9(4) . 4_655
C21 Au1 Au1 92.5(4) . 4_655
Ag1 Au1 Au1 152.71(4) . 4_655
Ag2 Au1 Au1 145.19(4) . 4_655
C41 Au2 C31 176.5(7) . .
C41 Au2 Ag2 117.1(5) . .
C31 Au2 Ag2 59.4(4) . .
C41 Au2 Ag1 58.3(4) . .
C31 Au2 Ag1 118.6(4) . .
Ag2 Au2 Ag1 61.73(3) . .
C41 Au2 Au2 90.4(4) . 14_655
C31 Au2 Au2 93.0(4) . 14_655
Ag2 Au2 Au2 151.95(3) . 14_655
Ag1 Au2 Au2 145.99(3) . 14_655
O51 Ag1 C41 108.7(6) . .
O51 Ag1 C21 134.6(5) . .
C41 Ag1 C21 115.3(6) . .
O51 Ag1 Au1 105.6(3) . .
C41 Ag1 Au1 136.7(4) . .
C21 Ag1 Au1 45.3(3) . .
O51 Ag1 Au2 109.9(3) . .
C41 Ag1 Au2 45.3(4) . .
C21 Ag1 Au2 108.6(4) . .
Au1 Ag1 Au2 98.18(4) . .
O51 Ag1 Ag2 79.3(3) . .
C41 Ag1 Ag2 101.7(4) . .
C21 Ag1 Ag2 101.6(3) . .
Au1 Ag1 Ag2 59.93(3) . .
Au2 Ag1 Ag2 58.52(3) . .
O52 Ag2 C31 133.9(5) . .
O52 Ag2 C11 98.5(5) . .
C31 Ag2 C11 123.8(5) . .
O52 Ag2 Au2 112.7(3) . .
C31 Ag2 Au2 46.0(3) . .
C11 Ag2 Au2 138.7(3) . .
O52 Ag2 Au1 109.1(4) . .
C31 Ag2 Au1 113.9(4) . .
C11 Ag2 Au1 44.4(3) . .
Au2 Ag2 Au1 98.12(4) . .
O52 Ag2 Ag1 84.5(4) . .
C31 Ag2 Ag1 103.9(3) . .
C11 Ag2 Ag1 99.3(3) . .
Au2 Ag2 Ag1 59.75(3) . .
Au1 Ag2 Ag1 58.61(3) . .
C16 C11 C12 114.5(13) . .
C16 C11 Au1 125.6(10) . .
C12 C11 Au1 119.8(11) . .
C16 C11 Ag2 92.0(9) . .
C12 C11 Ag2 109.0(9) . .
Au1 C11 Ag2 74.1(4) . .
F12 C12 C13 118.4(14) . .
F12 C12 C11 120.1(13) . .
C13 C12 C11 121.5(15) . .
F13 C13 C14 121.5(16) . .
F13 C13 C12 118.4(17) . .
C14 C13 C12 120.2(15) . .
F14 C14 C13 118.9(19) . .
F14 C14 C15 121.4(19) . .
C13 C14 C15 119.6(15) . .
F15 C15 C16 121.6(16) . .
F15 C15 C14 118.8(14) . .
C16 C15 C14 119.6(16) . .
F16 C16 C15 116.6(15) . .
F16 C16 C11 118.9(12) . .
C15 C16 C11 124.5(15) . .
C22 C21 C26 114.3(18) . .
C22 C21 Au1 123.0(13) . .
C26 C21 Au1 122.5(15) . .
C22 C21 Ag1 109.7(12) . .
C26 C21 Ag1 92.9(12) . .
Au1 C21 Ag1 73.7(5) . .
F22 C22 C23 119(2) . .
F22 C22 C21 118.9(17) . .
C23 C22 C21 122(2) . .
F23 C23 C22 121(3) . .
F23 C23 C24 118(2) . .
C22 C23 C24 121(3) . .
F24 C24 C25 121(4) . .
F24 C24 C23 120(3) . .
C25 C24 C23 119(2) . .
C26 C25 C24 120(3) . .
C26 C25 F25 119(3) . .
C24 C25 F25 120(3) . .
C25 C26 F26 118(2) . .
C25 C26 C21 124(3) . .
F26 C26 C21 118.1(18) . .
C32 C31 C36 114.5(15) . .
C32 C31 Au2 123.5(13) . .
C36 C31 Au2 121.4(12) . .
C32 C31 Ag2 100.4(11) . .
C36 C31 Ag2 103.9(11) . .
Au2 C31 Ag2 74.6(5) . .
F32 C32 C31 119.3(16) . .
F32 C32 C33 117.5(19) . .
C31 C32 C33 123(2) . .
F33 C33 C34 121(2) . .
F33 C33 C32 120(2) . .
C34 C33 C32 118(2) . .
C35 C34 F34 119(2) . .
C35 C34 C33 122.5(19) . .
F34 C34 C33 118(2) . .
F35 C35 C34 120.9(19) . .
F35 C35 C36 122(2) . .
C34 C35 C36 117(2) . .
F36 C36 C31 119.8(13) . .
F36 C36 C35 116.3(17) . .
C31 C36 C35 123.9(18) . .
C42 C41 C46 114(2) . .
C42 C41 Au2 122.7(16) . .
C46 C41 Au2 121.9(16) . .
C42 C41 Ag1 105.5(12) . .
C46 C41 Ag1 102.0(12) . .
Au2 C41 Ag1 76.3(5) . .
F42 C42 C41 121.3(18) . .
F42 C42 C43 118(2) . .
C41 C42 C43 121(3) . .
C44 C43 F43 124(3) . .
C44 C43 C42 120(3) . .
F43 C43 C42 116(3) . .
C43 C44 C45 123(3) . .
C43 C44 F44 116(4) . .
C45 C44 F44 121(4) . .
F45 C45 C46 124(4) . .
F45 C45 C44 120(3) . .
C46 C45 C44 116(3) . .
C45 C46 F46 116(3) . .
C45 C46 C41 126(3) . .
F46 C46 C41 117.3(18) . .
O51 C5 O52 131.2(17) . .
O51 C5 C53 118.1(18) . .
O52 C5 C53 110.5(18) . .
C5 O51 Ag1 125.7(12) . .
C5 O52 Ag2 119.3(12) . .
F57 C53 F54 126(3) . .
F57 C53 F59 117(4) . .
F54 C53 F59 43.4(19) . .
F57 C53 F55 41(2) . .
F54 C53 F55 124(3) . .
F59 C53 F55 89(3) . .
F57 C53 F56 57(2) . .
F54 C53 F56 103(3) . .
F59 C53 F56 138(3) . .
F55 C53 F56 98(2) . .
F57 C53 F58 97(3) . .
F54 C53 F58 58(2) . .
F59 C53 F58 100(2) . .
F55 C53 F58 133(2) . .
F56 C53 F58 47.0(16) . .
F57 C53 C5 122(3) . .
F54 C53 C5 110(3) . .
F59 C53 C5 111.3(18) . .
F55 C53 C5 115(2) . .
F56 C53 C5 103(2) . .
F58 C53 C5 105(3) . .
F59 F54 C53 70(3) . .
F59 F54 F58 136(4) . .
C53 F54 F58 68(3) . .
F57 F55 C53 52(3) . .
F58 F56 F57 108(3) . .
F58 F56 C53 69(2) . .
F57 F56 C53 48(2) . .
F55 F57 C53 88(4) . .
F55 F57 F56 162(5) . .
C53 F57 F56 75(3) . .
F56 F58 F54 116(3) . .
F56 F58 C53 64(2) . .
F54 F58 C53 54(2) . .
F54 F59 C53 66(3) . .
C75 N7 C75 105.9(16) . 2
C75 N7 C71 111.2(8) . 2
C75 N7 C71 111.7(8) 2 2
C75 N7 C71 111.7(8) . .
C75 N7 C71 111.2(8) 2 .
C71 N7 C71 105.2(15) 2 .
C72 C71 N7 115.8(12) . .
C72 C71 H71A 108.3 . .
N7 C71 H71A 108.3 . .
C72 C71 H71B 108.3 . .
N7 C71 H71B 108.3 . .
H71A C71 H71B 107.4 . .
C71 C72 C73 109.9(13) . .
C71 C72 H72A 109.7 . .
C73 C72 H72A 109.7 . .
C71 C72 H72B 109.7 . .
C73 C72 H72B 109.7 . .
H72A C72 H72B 108.2 . .
C74 C73 C72 111.2(15) . .
C74 C73 H73A 109.4 . .
C72 C73 H73A 109.4 . .
C74 C73 H73B 109.4 . .
C72 C73 H73B 109.4 . .
H73A C73 H73B 108.0 . .
C73 C74 H74A 109.5 . .
C73 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C73 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C76 C75 N7 115.7(13) . .
C76 C75 H75A 108.4 . .
N7 C75 H75A 108.4 . .
C76 C75 H75B 108.4 . .
N7 C75 H75B 108.4 . .
H75A C75 H75B 107.4 . .
C75 C76 C77A 109.4(19) . .
C75 C76 H76A 109.8 . .
C77A C76 H76A 109.8 . .
C75 C76 H76B 109.8 . .
C77A C76 H76B 109.8 . .
H76A C76 H76B 108.2 . .
C78 C77A C76 121(3) . .
C78 C77A H77A 107.2 . .
C76 C77A H77A 107.2 . .
C78 C77A H77B 107.2 . .
C76 C77A H77B 107.2 . .
H77A C77A H77B 106.8 . .
C77A C78 H78A 109.5 . .
C77A C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C77A C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
H79A C79 H79B 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
C95 N8 C94 129(10) 4_755 4_755
C95 N8 C97 55(10) 4_755 4_755
C94 N8 C97 101(8) 4_755 4_755
C95 N8 C89 64(10) 4_755 .
C94 N8 C89 67(6) 4_755 .
C97 N8 C89 78(5) 4_755 .
C95 N8 C81 100(10) 4_755 .
C94 N8 C81 107(7) 4_755 .
C97 N8 C81 152(7) 4_755 .
C89 N8 C81 105(4) . .
C95 N8 C85 56(10) 4_755 .
C94 N8 C85 136(7) 4_755 .
C97 N8 C85 41(5) 4_755 .
C89 N8 C85 111(4) . .
C81 N8 C85 115(4) . .
C95 N8 C93 149(10) 4_755 .
C94 N8 C93 54(5) 4_755 .
C97 N8 C93 94(6) 4_755 .
C89 N8 C93 117(4) . .
C81 N8 C93 108(4) . .
C85 N8 C93 100(4) . .
C95 N8 C103 86(10) 4_755 .
C94 N8 C103 111(8) 4_755 .
C97 N8 C103 48(6) 4_755 .
C89 N8 C103 126(6) . .
C81 N8 C103 124(6) . .
C85 N8 C103 32(4) . .
C93 N8 C103 68(5) . .
C95 N8 C102 16(10) 4_755 .
C94 N8 C102 137(8) 4_755 .
C97 N8 C102 47(6) 4_755 .
C89 N8 C102 78(6) . .
C81 N8 C102 106(6) . .
C85 N8 C102 39(5) . .
C93 N8 C102 136(6) . .
C103 N8 C102 70(7) . .
C82 C81 N8 111(4) . .
C82 C81 C95 111(4) . 4_755
N8 C81 C95 0(4) . 4_755
C82 C81 Cl13 41(3) . 4_755
N8 C81 Cl13 152(4) . 4_755
C95 C81 Cl13 152(4) 4_755 4_755
C83 C82 Cl13 0(5) . 4_755
C83 C82 C81 96(4) . .
Cl13 C82 C81 96(4) 4_755 .
C83 C82 C1 50(3) . 4_755
Cl13 C82 C1 50(3) 4_755 4_755
C81 C82 C1 142(4) . 4_755
C83 C82 Cl11 90(3) . 4_755
Cl13 C82 Cl11 90(3) 4_755 4_755
C81 C82 Cl11 166(4) . 4_755
C1 C82 Cl11 49.2(18) 4_755 4_755
Cl13 C83 C82 101(10) 4_755 .
Cl13 C83 C1 94(10) 4_755 4_755
C82 C83 C1 84(3) . 4_755
Cl13 C83 C84 114(10) 4_755 .
C82 C83 C84 114(4) . .
C1 C83 C84 41(3) 4_755 .
Cl13 C83 Cl12 115(10) 4_755 4_755
C82 C83 Cl12 134(3) . 4_755
C1 C83 Cl12 65(3) 4_755 4_755
C84 C83 Cl12 25(3) . 4_755
Cl12 C84 C1 148(10) 4_755 4_755
Cl12 C84 C83 85(8) 4_755 .
C1 C84 C83 65(5) 4_755 .
Cl12 C84 Cl13 85(8) 4_755 4_755
C1 C84 Cl13 65(5) 4_755 4_755
C83 C84 Cl13 0(4) . 4_755
Cl12 C84 Cl11 142(9) 4_755 4_755
C1 C84 Cl11 51(4) 4_755 4_755
C83 C84 Cl11 84(4) . 4_755
Cl13 C84 Cl11 84(4) 4_755 4_755
C103 C85 C97 84(10) . 4_755
C103 C85 C102 157(10) . .
C97 C85 C102 73(9) 4_755 .
C103 C85 C86 164(10) . .
C97 C85 C86 111(8) 4_755 .
C102 C85 C86 38(8) . .
C103 C85 C95 86(9) . 4_755
C97 C85 C95 59(6) 4_755 4_755
C102 C85 C95 81(8) . 4_755
C86 C85 C95 107(4) . 4_755
C103 C85 N8 86(9) . .
C97 C85 N8 59(6) 4_755 .
C102 C85 N8 81(8) . .
C86 C85 N8 107(4) . .
C95 C85 N8 0(4) 4_755 .
C102 C86 C88 153(10) . 17_765
C102 C86 C87 134(10) . .
C88 C86 C87 64(5) 17_765 .
C102 C86 C85 48(10) . .
C88 C86 C85 159(6) 17_765 .
C87 C86 C85 98(5) . .
C86 C87 C88 54(4) . 17_765
C86 C87 C88 94(6) . .
C88 C87 C88 47(5) 17_765 .
C88 C88 C86 120(8) 17_765 17_765
C88 C88 C87 69(6) 17_765 17_765
C86 C88 C87 62(5) 17_765 17_765
C88 C88 C87 64(6) 17_765 .
C86 C88 C87 148(6) 17_765 .
C87 C88 C87 133(5) 17_765 .
C95 C89 N8 0(5) 4_755 .
C95 C89 C94 49(5) 4_755 4_755
N8 C89 C94 49(5) . 4_755
C95 C89 C90 102(5) 4_755 .
N8 C89 C90 102(5) . .
C94 C89 C90 78(5) 4_755 .
C95 C89 C97 49(4) 4_755 4_755
N8 C89 C97 49(4) . 4_755
C94 C89 C97 75(5) 4_755 4_755
C90 C89 C97 68(5) . 4_755
C89 C90 C91 86(5) . .
C89 C90 Cl23 86(5) . 4_755
C91 C90 Cl23 0(3) . 4_755
C89 C90 C97 62(5) . 4_755
C91 C90 C97 129(6) . 4_755
Cl23 C90 C97 129(6) 4_755 4_755
C89 C90 C94 50(4) . 4_755
C91 C90 C94 124(6) . 4_755
Cl23 C90 C94 124(6) 4_755 4_755
C97 C90 C94 64(5) 4_755 4_755
C89 C90 Cl22 100(5) . 4_755
C91 C90 Cl22 22.2(19) . 4_755
Cl23 C90 Cl22 22.2(19) 4_755 4_755
C97 C90 Cl22 151(6) 4_755 4_755
C94 C90 Cl22 123(6) 4_755 4_755
Cl23 C91 Cl22 123(10) 4_755 4_755
Cl23 C91 C92 103(10) 4_755 .
Cl22 C91 C92 44(4) 4_755 .
Cl23 C91 C101 77(10) 4_755 .
Cl22 C91 C101 62(5) 4_755 .
C92 C91 C101 26(3) . .
Cl23 C91 C90 124(10) 4_755 .
Cl22 C91 C90 103(6) 4_755 .
C92 C91 C90 88(4) . .
C101 C91 C90 101(5) . .
Cl23 C91 C2 51(10) 4_755 4_755
Cl22 C91 C2 73(5) 4_755 4_755
C92 C91 C2 58(3) . 4_755
C101 C91 C2 36(3) . 4_755
C90 C91 C2 134(4) . 4_755
C101 C92 Cl22 100(10) . 4_755
C101 C92 C91 83(9) . .
Cl22 C92 C91 28(3) 4_755 .
C101 C92 Cl23 83(9) . 4_755
Cl22 C92 Cl23 28(3) 4_755 4_755
C91 C92 Cl23 0(4) . 4_755
C101 C92 C2 31(8) . 4_755
Cl22 C92 C2 73(4) 4_755 4_755
C91 C92 C2 65(3) . 4_755
Cl23 C92 C2 65(3) 4_755 4_755
C93 C93 C94 77(8) 4_755 4_755
C93 C93 C94 68(7) 4_755 .
C94 C93 C94 78(9) 4_755 .
C93 C93 N8 123(10) 4_755 .
C94 C93 N8 48(6) 4_755 .
C94 C93 N8 106(6) . .
C93 C93 C95 123(10) 4_755 4_755
C94 C93 C95 48(6) 4_755 4_755
C94 C93 C95 106(6) . 4_755
N8 C93 C95 0(5) . 4_755
C93 C93 C103 132(9) 4_755 .
C94 C93 C103 101(8) 4_755 .
C94 C93 C103 159(8) . .
N8 C93 C103 61(5) . .
C95 C93 C103 61(5) 4_755 .
N8 C94 C95 0(6) 4_755 .
N8 C94 C93 78(8) 4_755 4_755
C95 C94 C93 78(8) . 4_755
N8 C94 C93 112(9) 4_755 .
C95 C94 C93 112(9) . .
C93 C94 C93 35(5) 4_755 .
N8 C94 C89 64(6) 4_755 4_755
C95 C94 C89 64(6) . 4_755
C93 C94 C89 137(10) 4_755 4_755
C93 C94 C89 152(8) . 4_755
N8 C94 C94 109(10) 4_755 4_755
C95 C94 C94 109(10) . 4_755
C93 C94 C94 53(5) 4_755 4_755
C93 C94 C94 49(5) . 4_755
C89 C94 C94 158(8) 4_755 4_755
N8 C94 C90 94(7) 4_755 4_755
C95 C94 C90 94(7) . 4_755
C93 C94 C90 115(7) 4_755 4_755
C93 C94 C90 102(7) . 4_755
C89 C94 C90 53(4) 4_755 4_755
C94 C94 C90 148(10) 4_755 4_755
N8 C95 C94 51(10) 4_755 .
N8 C95 C97 125(10) 4_755 .
C94 C95 C97 101(8) . .
N8 C95 C89 116(10) 4_755 4_755
C94 C95 C89 67(6) . 4_755
C97 C95 C89 78(5) . 4_755
N8 C95 C81 80(10) 4_755 4_755
C94 C95 C81 107(7) . 4_755
C97 C95 C81 152(7) . 4_755
C89 C95 C81 105(4) 4_755 4_755
N8 C95 C85 124(10) 4_755 4_755
C94 C95 C85 136(7) . 4_755
C97 C95 C85 41(5) . 4_755
C89 C95 C85 111(4) 4_755 4_755
C81 C95 C85 115(4) 4_755 4_755
N8 C95 C93 31(10) 4_755 4_755
C94 C95 C93 54(5) . 4_755
C97 C95 C93 94(6) . 4_755
C89 C95 C93 117(4) 4_755 4_755
C81 C95 C93 108(4) 4_755 4_755
C85 C95 C93 100(4) 4_755 4_755
N8 C95 C103 94(10) 4_755 4_755
C94 C95 C103 111(8) . 4_755
C97 C95 C103 48(6) . 4_755
C89 C95 C103 126(6) 4_755 4_755
C81 C95 C103 124(6) 4_755 4_755
C85 C95 C103 32(4) 4_755 4_755
C93 C95 C103 68(5) 4_755 4_755
N8 C95 C102 164(10) 4_755 4_755
C94 C95 C102 137(8) . 4_755
C97 C95 C102 47(6) . 4_755
C89 C95 C102 78(6) 4_755 4_755
C81 C95 C102 106(6) 4_755 4_755
C85 C95 C102 39(5) 4_755 4_755
C93 C95 C102 136(6) 4_755 4_755
C103 C95 C102 70(7) 4_755 4_755
C85 C97 C102 57(8) 4_755 4_755
C85 C97 C103 45(7) 4_755 4_755
C102 C97 C103 102(10) 4_755 4_755
C85 C97 C95 80(8) 4_755 .
C102 C97 C95 84(9) 4_755 .
C103 C97 C95 82(8) 4_755 .
C85 C97 N8 80(8) 4_755 4_755
C102 C97 N8 84(9) 4_755 4_755
C103 C97 N8 82(8) 4_755 4_755
C95 C97 N8 0(4) . 4_755
C85 C97 C89 121(9) 4_755 4_755
C102 C97 C89 82(9) 4_755 4_755
C103 C97 C89 135(9) 4_755 4_755
C95 C97 C89 53(4) . 4_755
N8 C97 C89 53(4) 4_755 4_755
C85 C97 C90 170(10) 4_755 4_755
C102 C97 C90 119(10) 4_755 4_755
C103 C97 C90 137(10) 4_755 4_755
C95 C97 C90 91(7) . 4_755
N8 C97 C90 91(7) 4_755 4_755
C89 C97 C90 50(4) 4_755 4_755
C92 C101 C2 127(10) . 4_755
C92 C101 Cl22 50(7) . 4_755
C2 C101 Cl22 81(6) 4_755 4_755
C92 C101 Cl23 70(8) . 4_755
C2 C101 Cl23 74(6) 4_755 4_755
Cl22 C101 Cl23 28(2) 4_755 4_755
C92 C101 C91 70(8) . .
C2 C101 C91 74(6) 4_755 .
Cl22 C101 C91 28(2) 4_755 .
Cl23 C101 C91 0(4) 4_755 .
C86 C102 C85 94(10) . .
C86 C102 C97 142(10) . 4_755
C85 C102 C97 50(8) . 4_755
C86 C102 C95 128(10) . 4_755
C85 C102 C95 60(7) . 4_755
C97 C102 C95 49(7) 4_755 4_755
C86 C102 N8 128(10) . .
C85 C102 N8 60(7) . .
C97 C102 N8 49(7) 4_755 .
C95 C102 N8 0(3) 4_755 .
C85 C103 C97 51(8) . 4_755
C85 C103 C95 62(8) . 4_755
C97 C103 C95 49(6) 4_755 4_755
C85 C103 N8 62(8) . .
C97 C103 N8 49(6) 4_755 .
C95 C103 N8 0.0(7) 4_755 .
C85 C103 C93 113(10) . .
C97 C103 C93 82(9) 4_755 .
C95 C103 C93 51(4) 4_755 .
N8 C103 C93 51(4) . .
C84 C1 Cl13 74(5) 4_755 .
C84 C1 C83 74(5) 4_755 4_755
Cl13 C1 C83 0(4) . 4_755
C84 C1 Cl11 100(6) 4_755 .
Cl13 C1 Cl11 106(3) . .
C83 C1 Cl11 106(3) 4_755 .
C84 C1 Cl12 13(5) 4_755 .
Cl13 C1 Cl12 63(2) . .
C83 C1 Cl12 63(2) 4_755 .
Cl11 C1 Cl12 107(3) . .
C84 C1 C82 108(6) 4_755 4_755
Cl13 C1 C82 46(2) . 4_755
C83 C1 C82 46(2) 4_755 4_755
Cl11 C1 C82 71(2) . 4_755
Cl12 C1 C82 101(3) . 4_755
C1 Cl11 C82 60(2) . 4_755
C1 Cl11 C84 29(2) . 4_755
C82 Cl11 C84 71(2) 4_755 4_755
C84 Cl12 C83 70(7) 4_755 4_755
C84 Cl12 Cl13 70(7) 4_755 .
C83 Cl12 Cl13 0(4) 4_755 .
C84 Cl12 C1 20(7) 4_755 .
C83 Cl12 C1 52.3(19) 4_755 .
Cl13 Cl12 C1 52.3(19) . .
C83 Cl13 C82 144(10) 4_755 4_755
C83 Cl13 C1 121(10) 4_755 .
C82 Cl13 C1 84(3) 4_755 .
C83 Cl13 C84 81(10) 4_755 4_755
C82 Cl13 C84 114(4) 4_755 4_755
C1 Cl13 C84 41(3) . 4_755
C83 Cl13 Cl12 56(10) 4_755 .
C82 Cl13 Cl12 134(3) 4_755 .
C1 Cl13 Cl12 65(3) . .
C84 Cl13 Cl12 25(3) 4_755 .
C83 Cl13 C81 114(10) 4_755 4_755
C82 Cl13 C81 42(3) 4_755 4_755
C1 Cl13 C81 124(3) . 4_755
C84 Cl13 C81 155(4) 4_755 4_755
Cl12 Cl13 C81 159(3) . 4_755
C101 C2 C92 22(5) 4_755 4_755
C101 C2 Cl21 164(7) 4_755 .
C92 C2 Cl21 144(4) 4_755 .
C101 C2 Cl22 61(6) 4_755 .
C92 C2 Cl22 41(2) 4_755 .
Cl21 C2 Cl22 111(4) . .
C101 C2 Cl23 70(6) 4_755 .
C92 C2 Cl23 57(3) 4_755 .
Cl21 C2 Cl23 110(4) . .
Cl22 C2 Cl23 26.6(18) . .
C101 C2 C91 70(6) 4_755 4_755
C92 C2 C91 57(3) 4_755 4_755
Cl21 C2 C91 110(4) . 4_755
Cl22 C2 C91 26.6(18) . 4_755
Cl23 C2 C91 0(3) . 4_755
C91 Cl22 Cl23 0(7) 4_755 .
C91 Cl22 C92 108(6) 4_755 4_755
Cl23 Cl22 C92 108(6) . 4_755
C91 Cl22 C101 90(5) 4_755 4_755
Cl23 Cl22 C101 90(5) . 4_755
C92 Cl22 C101 30(4) 4_755 4_755
C91 Cl22 C2 80(5) 4_755 .
Cl23 Cl22 C2 80(5) . .
C92 Cl22 C2 66(4) 4_755 .
C101 Cl22 C2 38(3) 4_755 .
C91 Cl22 C90 55(5) 4_755 4_755
Cl23 Cl22 C90 55(5) . 4_755
C92 Cl22 C90 87(4) 4_755 4_755
C101 Cl22 C90 95(4) 4_755 4_755
C2 Cl22 C90 116(4) . 4_755
C91 Cl23 Cl22 57(10) 4_755 .
C91 Cl23 C92 77(10) 4_755 4_755
Cl22 Cl23 C92 44(4) . 4_755
C91 Cl23 C101 103(10) 4_755 4_755
Cl22 Cl23 C101 62(5) . 4_755
C92 Cl23 C101 26(3) 4_755 4_755
C91 Cl23 C90 56(10) 4_755 4_755
Cl22 Cl23 C90 103(6) . 4_755
C92 Cl23 C90 88(4) 4_755 4_755
C101 Cl23 C90 101(5) 4_755 4_755
C91 Cl23 C2 129(10) 4_755 .
Cl22 Cl23 C2 73(5) . .
C92 Cl23 C2 58(3) 4_755 .
C101 Cl23 C2 36(3) 4_755 .
C90 Cl23 C2 134(4) 4_755 .
Cl32 Cl31 C3 0(3) 2_765 3_565
Cl32 Cl31 Cl32 39.9(18) 2_765 4_755
C3 Cl31 Cl32 39.9(18) 3_565 4_755
Cl32 Cl31 C3 39.9(18) 2_765 .
C3 Cl31 C3 39.9(18) 3_565 .
Cl32 Cl31 C3 0(2) 4_755 .
Cl32 Cl31 Cl31 63.0(19) 2_765 3_565
C3 Cl31 Cl31 63.0(19) 3_565 3_565
Cl32 Cl31 Cl31 50.1(15) 4_755 3_565
C3 Cl31 Cl31 50.1(15) . 3_565
Cl32 C3 Cl32 103(10) 4_755 2_765
Cl32 C3 C3 103(10) 4_755 3_565
Cl32 C3 C3 0(3) 2_765 3_565
Cl32 C3 Cl32 77(10) 4_755 3_565
Cl32 C3 Cl32 84.8(16) 2_765 3_565
C3 C3 Cl32 84.8(16) 3_565 3_565
Cl32 C3 C3 77(10) 4_755 2_765
Cl32 C3 C3 84.8(16) 2_765 2_765
C3 C3 C3 84.8(16) 3_565 2_765
Cl32 C3 C3 0(3) 3_565 2_765
Cl32 C3 Cl31 125(10) 4_755 3_565
Cl32 C3 Cl31 82(2) 2_765 3_565
C3 C3 Cl31 82(2) 3_565 3_565
Cl32 C3 Cl31 157(3) 3_565 3_565
C3 C3 Cl31 157(3) 2_765 3_565
Cl32 C3 C3 109(10) 4_755 4_755
Cl32 C3 C3 53.6(18) 2_765 4_755
C3 C3 C3 53.6(18) 3_565 4_755
Cl32 C3 C3 41.6(17) 3_565 4_755
C3 C3 C3 41.6(17) 2_765 4_755
Cl31 C3 C3 116(2) 3_565 4_755
Cl32 C3 Cl32 109(10) 4_755 .
Cl32 C3 Cl32 53.6(18) 2_765 .
C3 C3 Cl32 53.6(18) 3_565 .
Cl32 C3 Cl32 41.6(17) 3_565 .
C3 C3 Cl32 41.6(17) 2_765 .
Cl31 C3 Cl32 116(2) 3_565 .
C3 C3 Cl32 0.0(15) 4_755 .
Cl32 C3 Cl31 69(10) 4_755 .
Cl32 C3 Cl31 58.4(19) 2_765 .
C3 C3 Cl31 58.4(19) 3_565 .
Cl32 C3 Cl31 121(3) 3_565 .
C3 C3 Cl31 121(3) 2_765 .
Cl31 C3 Cl31 67(3) 3_565 .
C3 C3 Cl31 110(2) 4_755 .
Cl32 C3 Cl31 110(2) . .
C3 Cl32 Cl32 32(10) 4_755 3_565
C3 Cl32 C3 32(10) 4_755 2_765
Cl32 Cl32 C3 0(3) 3_565 2_765
C3 Cl32 Cl32 78(10) 4_755 2_765
Cl32 Cl32 Cl32 84.8(16) 3_565 2_765
C3 Cl32 Cl32 84.8(16) 2_765 2_765
C3 Cl32 C3 78(10) 4_755 3_565
Cl32 Cl32 C3 84.8(16) 3_565 3_565
C3 Cl32 C3 84.8(16) 2_765 3_565
Cl32 Cl32 C3 0(3) 2_765 3_565
C3 Cl32 Cl31 100(10) 4_755 2_765
Cl32 Cl32 Cl31 82(2) 3_565 2_765
C3 Cl32 Cl31 82(2) 2_765 2_765
Cl32 Cl32 Cl31 157(3) 2_765 2_765
C3 Cl32 Cl31 157(3) 3_565 2_765
C3 Cl32 C3 67(10) 4_755 .
Cl32 Cl32 C3 53.6(18) 3_565 .
C3 Cl32 C3 53.6(18) 2_765 .
Cl32 Cl32 C3 41.6(17) 2_765 .
C3 Cl32 C3 41.6(17) 3_565 .
Cl31 Cl32 C3 116(2) 2_765 .
C3 Cl32 Cl32 67(10) 4_755 4_755
Cl32 Cl32 Cl32 53.6(18) 3_565 4_755
C3 Cl32 Cl32 53.6(18) 2_765 4_755
Cl32 Cl32 Cl32 41.6(17) 2_765 4_755
C3 Cl32 Cl32 41.6(17) 3_565 4_755
Cl31 Cl32 Cl32 116(2) 2_765 4_755
C3 Cl32 Cl32 0.0(12) . 4_755
C3 Cl32 Cl31 46(10) 4_755 4_755
Cl32 Cl32 Cl31 58(2) 3_565 4_755
C3 Cl32 Cl31 58(2) 2_765 4_755
Cl32 Cl32 Cl31 121(3) 2_765 4_755
C3 Cl32 Cl31 121(3) 3_565 4_755
Cl31 Cl32 Cl31 67(3) 2_765 4_755
C3 Cl32 Cl31 110(2) . 4_755
Cl32 Cl32 Cl31 110(2) 4_755 4_755
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C11 2.066(13) .
Au1 C21 2.074(15) .
Au1 Ag1 2.8023(13) .
Au1 Ag2 2.8409(13) .
Au1 Au1 2.8997(12) 4_655
Au2 C41 2.070(17) .
Au2 C31 2.083(15) .
Au2 Ag2 2.7921(13) .
Au2 Ag1 2.8282(12) .
Au2 Au2 2.9319(12) 14_655
Ag1 O51 2.301(12) .
Ag1 C41 2.478(16) .
Ag1 C21 2.556(16) .
Ag1 Ag2 2.8836(16) .
Ag2 O52 2.267(12) .
Ag2 C31 2.494(15) .
Ag2 C11 2.595(14) .
C11 C16 1.41(2) .
C11 C12 1.418(19) .
C12 F12 1.336(18) .
C12 C13 1.41(2) .
C13 F13 1.354(18) .
C13 C14 1.38(3) .
C14 F14 1.349(18) .
C14 C15 1.39(3) .
C15 F15 1.328(19) .
C15 C16 1.36(2) .
C16 F16 1.340(17) .
C21 C22 1.38(2) .
C21 C26 1.42(2) .
C22 F22 1.30(2) .
C22 C23 1.37(3) .
C23 F23 1.33(3) .
C23 C24 1.38(4) .
C24 F24 1.34(2) .
C24 C25 1.35(4) .
C25 C26 1.35(3) .
C25 F25 1.39(3) .
C26 F26 1.39(3) .
C31 C32 1.39(2) .
C31 C36 1.41(2) .
C32 F32 1.37(2) .
C32 C33 1.39(3) .
C33 F33 1.35(3) .
C33 C34 1.38(3) .
C34 C35 1.34(3) .
C34 F34 1.37(2) .
C35 F35 1.30(2) .
C35 C36 1.41(2) .
C36 F36 1.34(2) .
C41 C42 1.36(3) .
C41 C46 1.43(3) .
C42 F42 1.34(3) .
C42 C43 1.45(3) .
C43 C44 1.30(5) .
C43 F43 1.39(4) .
C44 C45 1.37(5) .
C44 F44 1.38(3) .
C45 F45 1.32(4) .
C45 C46 1.34(3) .
C46 F46 1.38(3) .
C5 O51 1.19(2) .
C5 O52 1.26(2) .
C5 C53 1.58(3) .
C53 F57 1.09(4) .
C53 F54 1.28(4) .
C53 F59 1.31(3) .
C53 F55 1.39(4) .
C53 F56 1.42(3) .
C53 F58 1.46(4) .
F54 F59 0.96(4) .
F54 F58 1.33(4) .
F55 F57 0.91(4) .
F56 F58 1.15(3) .
F56 F57 1.23(4) .
N7 C75 1.534(17) .
N7 C75 1.534(17) 2
N7 C71 1.552(17) 2
N7 C71 1.552(17) .
C71 C72 1.51(2) .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C72 C73 1.52(2) .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
C73 C74 1.52(2) .
C73 H73A 0.9700 .
C73 H73B 0.9700 .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 C76 1.48(2) .
C75 H75A 0.9700 .
C75 H75B 0.9700 .
C76 C77A 1.52(3) .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
C77A C78 1.41(3) .
C77A H77A 0.9700 .
C77A H77B 0.9700 .
C78 H78A 0.9600 .
C78 H78B 0.9600 .
C78 H78C 0.9600 .
C79 H79A 0.9600 .
C79 H79B 0.9600 .
C79 H79C 0.9600 .
N8 C95 0.00(14) 4_755
N8 C94 1.27(12) 4_755
N8 C97 1.44(10) 4_755
N8 C89 1.52(6) .
N8 C81 1.64(6) .
N8 C85 1.66(7) .
N8 C93 1.67(7) .
N8 C103 1.88(14) .
N8 C102 1.89(16) .
C81 C82 1.47(7) .
C81 C95 1.64(6) 4_755
C81 Cl13 2.17(7) 4_755
C82 C83 1.44(5) .
C82 Cl13 1.44(5) 4_755
C82 C1 2.00(7) 4_755
C82 Cl11 2.20(5) 4_755
C83 Cl13 0.00000(18) 4_755
C83 C1 1.54(6) 4_755
C83 C84 1.63(9) .
C83 Cl12 1.72(4) 4_755
C84 Cl12 0.72(7) 4_755
C84 C1 1.11(8) 4_755
C84 Cl13 1.63(9) 4_755
C84 Cl11 2.23(8) 4_755
C85 C103 1.00(14) .
C85 C97 1.10(11) 4_755
C85 C102 1.21(15) .
C85 C86 1.63(8) .
C85 C95 1.66(7) 4_755
C86 C102 1.01(15) .
C86 C88 1.47(8) 17_765
C86 C87 1.61(9) .
C87 C88 1.64(10) 17_765
C87 C88 1.70(10) .
C88 C88 1.33(12) 17_765
C88 C86 1.47(8) 17_765
C88 C87 1.64(10) 17_765
C89 C95 1.52(6) 4_755
C89 C94 1.55(11) 4_755
C89 C90 1.62(9) .
C89 C97 1.87(11) 4_755
C90 C91 1.75(9) .
C90 Cl23 1.75(9) 4_755
C90 C97 1.96(13) 4_755
C90 C94 1.99(12) 4_755
C90 Cl22 2.09(10) 4_755
C91 Cl23 0.00(8) 4_755
C91 Cl22 0.81(5) 4_755
C91 C92 1.65(7) .
C91 C101 1.74(9) .
C91 C2 1.79(7) 4_755
C92 C101 0.77(9) .
C92 Cl22 1.20(6) 4_755
C92 Cl23 1.65(7) 4_755
C92 C2 1.66(8) 4_755
C93 C93 0.86(11) 4_755
C93 C94 1.38(11) 4_755
C93 C94 1.44(11) .
C93 C95 1.67(7) 4_755
C93 C103 1.99(15) .
C94 N8 1.27(12) 4_755
C94 C95 1.27(12) .
C94 C93 1.38(11) 4_755
C94 C89 1.55(11) 4_755
C94 C94 1.8(2) 4_755
C94 C90 1.99(12) 4_755
C95 N8 0.00(14) 4_755
C95 C97 1.44(10) .
C95 C89 1.52(6) 4_755
C95 C81 1.64(6) 4_755
C95 C85 1.66(7) 4_755
C95 C93 1.67(7) 4_755
C95 C103 1.88(14) 4_755
C95 C102 1.89(16) 4_755
C97 C85 1.10(11) 4_755
C97 C102 1.38(17) 4_755
C97 C103 1.41(16) 4_755
C97 N8 1.44(10) 4_755
C97 C89 1.87(11) 4_755
C97 C90 1.96(13) 4_755
C101 C2 1.08(8) 4_755
C101 Cl22 1.54(8) 4_755
C101 Cl23 1.74(8) 4_755
C102 C97 1.38(17) 4_755
C102 C95 1.89(16) 4_755
C103 C97 1.41(16) 4_755
C103 C95 1.88(14) 4_755
C1 C84 1.11(8) 4_755
C1 Cl13 1.54(6) .
C1 C83 1.54(6) 4_755
C1 Cl11 1.76(5) .
C1 Cl12 1.76(5) .
C1 C82 2.00(7) 4_755
Cl11 C82 2.20(5) 4_755
Cl11 C84 2.23(8) 4_755
Cl12 C84 0.72(7) 4_755
Cl12 C83 1.72(4) 4_755
Cl12 Cl13 1.72(4) .
Cl13 C83 0.00(8) 4_755
Cl13 C82 1.44(5) 4_755
Cl13 C84 1.63(9) 4_755
Cl13 C81 2.17(7) 4_755
C2 C101 1.08(8) 4_755
C2 C92 1.66(8) 4_755
C2 Cl21 1.67(6) .
C2 Cl22 1.74(7) .
C2 Cl23 1.79(7) .
C2 C91 1.79(7) 4_755
Cl22 C91 0.81(5) 4_755
Cl22 Cl23 0.81(5) .
Cl22 C92 1.20(6) 4_755
Cl22 C101 1.54(8) 4_755
Cl22 C90 2.09(10) 4_755
Cl23 C91 0.00000(19) 4_755
Cl23 C92 1.65(7) 4_755
Cl23 C101 1.74(8) 4_755
Cl23 C90 1.75(9) 4_755
Cl31 Cl32 1.54(4) 2_765
Cl31 C3 1.54(4) 3_565
Cl31 Cl32 1.79(4) 4_755
Cl31 C3 1.79(4) .
Cl31 Cl31 1.84(7) 3_565
C3 Cl32 0.00001(11) 4_755
C3 Cl32 1.16(5) 2_765
C3 C3 1.16(5) 3_565
C3 Cl32 1.41(5) 3_565
C3 C3 1.41(5) 2_765
C3 Cl31 1.54(4) 3_565
C3 C3 1.74(4) 4_755
C3 Cl32 1.74(4) .
Cl32 C3 0.00001(12) 4_755
Cl32 Cl32 1.16(5) 3_565
Cl32 C3 1.16(5) 2_765
Cl32 Cl32 1.41(5) 2_765
Cl32 C3 1.41(5) 3_565
Cl32 Cl31 1.54(4) 2_765
Cl32 Cl32 1.74(5) 4_755
Cl32 Cl31 1.79(4) 4_755
