#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:46:51 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179863 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/59/7015985.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_7015985
loop_
_publ_author_name
'Chia, Eugene Y.'
'Naeem, Saira'
'Delaude, Lionel'
'White, Andrew J. P.'
'Wilton-Ely, James D E T'
_publ_section_title
;
 Gold(i) complexes bearing mixed-donor ligands derived from
 N-heterocyclic carbenes.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6645
_journal_page_last               6658
_journal_paper_doi               10.1039/c0dt01613f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety
'C58 H58 Ag2 Au F6 N6 O6 S4, C F3 O3 S, C H2 Cl2'
_chemical_formula_sum            'C60 H60 Ag2 Au Cl2 F9 N6 O9 S5'
_chemical_formula_weight         1824.05
_chemical_name_systematic
;
?
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/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                 102.4511(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.31542(15)
_cell_length_b                   16.59529(19)
_cell_length_c                   20.2361(3)
_cell_measurement_reflns_used    9632
_cell_measurement_temperature    173
_cell_measurement_theta_max      72.3410
_cell_measurement_theta_min      2.2340
_cell_volume                     3382.69(8)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_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      173
_diffrn_detector_area_resol_mean 8.2556
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'OD Xcalibur PX Ultra'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0353
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            14888
_diffrn_reflns_theta_full        71.50
_diffrn_reflns_theta_max         72.49
_diffrn_reflns_theta_min         2.66
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    11.489
_exptl_absorpt_correction_T_max  0.728
_exptl_absorpt_correction_T_min  0.123
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.33.55 (release 05-01-2010 CrysAlis171 .NET)
(compiled Jan 5 2010,16:28:46)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             1804
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.608
_refine_diff_density_min         -1.539
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     513
_refine_ls_number_reflns         6557
_refine_ls_number_restraints     265
_refine_ls_restrained_S_all      1.147
_refine_ls_R_factor_all          0.0563
_refine_ls_R_factor_gt           0.0524
_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)+(0.0983P)²+6.8044P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1501
_refine_ls_wR_factor_ref         0.1531
_reflns_number_gt                5989
_reflns_number_total             6557
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01613f.txt
_cod_data_source_block           13
_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.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               7015985
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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 0.5000 0.237808(18) 0.7500 0.03519(13) Uani 1 2 d S . .
Ag1 Ag 0.42704(19) 0.09613(8) 0.66576(10) 0.0591(4) Uani 0.770(6) 1 d PU . 1
Ag1' Ag 0.3846(7) 0.0887(2) 0.6812(2) 0.0525(10) Uani 0.230(6) 1 d PU . 2
S1 S 0.30493(13) 0.23043(8) 0.66889(7) 0.0371(3) Uani 1 1 d . . .
C2 C 0.3365(5) 0.2755(3) 0.5955(3) 0.0350(11) Uani 1 1 d . . .
N3 N 0.4359(5) 0.3128(3) 0.5821(2) 0.0409(10) Uani 1 1 d . . .
C4 C 0.2202(5) 0.2749(3) 0.5367(3) 0.0323(10) Uani 1 1 d . . .
N5 N 0.1540(5) 0.2099(3) 0.5078(2) 0.0391(10) Uani 1 1 d . . .
C6 C 0.0622(7) 0.2344(4) 0.4498(3) 0.0481(15) Uani 1 1 d . . .
H6A H 0.0036 0.2008 0.4190 0.058 Uiso 1 1 calc R . .
C7 C 0.0732(6) 0.3142(4) 0.4464(3) 0.0468(13) Uani 1 1 d . . .
H7A H 0.0226 0.3481 0.4126 0.056 Uiso 1 1 calc R . .
N8 N 0.1705(5) 0.3392(3) 0.5004(2) 0.0354(9) Uani 1 1 d . . .
C9 C 0.1802(6) 0.1269(3) 0.5288(3) 0.0424(12) Uani 1 1 d . . .
C10 C 0.2918(8) 0.0909(4) 0.5135(5) 0.064(2) Uani 1 1 d . . .
C11 C 0.3180(9) 0.0132(5) 0.5383(7) 0.085(3) Uani 1 1 d . . .
H11A H 0.3948 -0.0133 0.5303 0.101 Uiso 1 1 calc R . .
C12 C 0.2392(9) -0.0268(4) 0.5733(5) 0.076(3) Uani 1 1 d . . .
C13 C 0.1296(8) 0.0115(4) 0.5864(4) 0.064(2) Uani 1 1 d . . .
H13A H 0.0750 -0.0162 0.6112 0.076 Uiso 1 1 calc R . .
C14 C 0.0958(7) 0.0901(4) 0.5642(3) 0.0484(14) Uani 1 1 d . . .
C15 C 0.3789(12) 0.1340(6) 0.4731(7) 0.103(4) Uani 1 1 d . . .
H15A H 0.4523 0.1607 0.5042 0.154 Uiso 1 1 calc R . .
H15B H 0.3260 0.1743 0.4436 0.154 Uiso 1 1 calc R . .
H15C H 0.4145 0.0948 0.4455 0.154 Uiso 1 1 calc R . .
C16 C 0.2733(12) -0.1120(5) 0.6021(8) 0.120(5) Uani 1 1 d . . .
H16A H 0.3019 -0.1455 0.5680 0.179 Uiso 1 1 calc R . .
H16B H 0.1947 -0.1361 0.6140 0.179 Uiso 1 1 calc R . .
H16C H 0.3451 -0.1087 0.6425 0.179 Uiso 1 1 calc R . .
C17 C -0.0198(8) 0.1315(5) 0.5821(5) 0.069(2) Uani 1 1 d . . .
H17A H 0.0101 0.1630 0.6236 0.103 Uiso 1 1 calc R . .
H17B H -0.0849 0.0913 0.5894 0.103 Uiso 1 1 calc R . .
H17C H -0.0608 0.1676 0.5451 0.103 Uiso 1 1 calc R . .
C18 C 0.2072(5) 0.4228(3) 0.5158(3) 0.0370(11) Uani 1 1 d . . .
C19 C 0.1580(6) 0.4603(4) 0.5664(3) 0.0401(12) Uani 1 1 d . . .
C20 C 0.1950(6) 0.5398(4) 0.5803(3) 0.0454(13) Uani 1 1 d . . .
H20A H 0.1657 0.5668 0.6158 0.055 Uiso 1 1 calc R . .
C21 C 0.2741(7) 0.5813(4) 0.5437(4) 0.0483(14) Uani 1 1 d . . .
C22 C 0.3190(7) 0.5409(4) 0.4932(3) 0.0468(13) Uani 1 1 d . . .
H22A H 0.3720 0.5690 0.4679 0.056 Uiso 1 1 calc R . .
C23 C 0.2890(6) 0.4603(4) 0.4785(3) 0.0399(12) Uani 1 1 d . . .
C24 C 0.0655(7) 0.4186(4) 0.6038(4) 0.0520(15) Uani 1 1 d . . .
H24A H 0.1142 0.3769 0.6333 0.078 Uiso 1 1 calc R . .
H24B H -0.0076 0.3938 0.5711 0.078 Uiso 1 1 calc R . .
H24C H 0.0297 0.4581 0.6311 0.078 Uiso 1 1 calc R . .
C25 C 0.3077(9) 0.6691(4) 0.5578(5) 0.067(2) Uani 1 1 d . . .
H25A H 0.3987 0.6793 0.5529 0.101 Uiso 1 1 calc R . .
H25B H 0.3001 0.6823 0.6040 0.101 Uiso 1 1 calc R . .
H25C H 0.2461 0.7027 0.5256 0.101 Uiso 1 1 calc R . .
C26 C 0.3400(7) 0.4163(4) 0.4243(3) 0.0492(14) Uani 1 1 d . . .
H26A H 0.2676 0.4092 0.3845 0.074 Uiso 1 1 calc R . .
H26B H 0.3741 0.3634 0.4413 0.074 Uiso 1 1 calc R . .
H26C H 0.4115 0.4477 0.4117 0.074 Uiso 1 1 calc R . .
C27 C 0.5555(6) 0.3278(4) 0.6300(3) 0.0443(13) Uani 1 1 d . . .
C28 C 0.5682(7) 0.3986(4) 0.6678(3) 0.0516(15) Uani 1 1 d . . .
H28A H 0.4935 0.4324 0.6667 0.062 Uiso 1 1 calc R . .
C29 C 0.6914(8) 0.4191(6) 0.7069(4) 0.067(2) Uani 1 1 d . . .
H29A H 0.7010 0.4673 0.7328 0.080 Uiso 1 1 calc R . .
C30 C 0.7976(7) 0.3713(7) 0.7087(4) 0.074(3) Uani 1 1 d . . .
H30A H 0.8819 0.3871 0.7346 0.089 Uiso 1 1 calc R . .
C31 C 0.7855(7) 0.3000(7) 0.6733(4) 0.076(3) Uani 1 1 d . . .
H31A H 0.8607 0.2660 0.6767 0.091 Uiso 1 1 calc R . .
C32 C 0.6643(7) 0.2769(5) 0.6327(4) 0.0566(16) Uani 1 1 d . . .
H32A H 0.6560 0.2281 0.6077 0.068 Uiso 1 1 calc R . .
S40 S 0.7162(3) 0.0287(2) 0.69978(16) 0.0819(10) Uani 0.770(6) 1 d PDU . 1
O41 O 0.6192(9) 0.0414(7) 0.6395(4) 0.097(3) Uani 0.770(6) 1 d PDU . 1
O42 O 0.6790(12) 0.0114(6) 0.7625(4) 0.110(3) Uani 0.770(6) 1 d PDU . 1
O43 O 0.8218(10) 0.0888(6) 0.7104(6) 0.115(4) Uani 0.770(6) 1 d PDU . 1
C40 C 0.7933(11) -0.0643(6) 0.6919(6) 0.123(6) Uani 0.770(6) 1 d PDU . 1
F41 F 0.8808(14) -0.0828(9) 0.7482(7) 0.183(5) Uani 0.770(6) 1 d PDU . 1
F42 F 0.8486(13) -0.0594(9) 0.6416(7) 0.168(4) Uani 0.770(6) 1 d PDU . 1
F43 F 0.7024(14) -0.1224(8) 0.6825(8) 0.170(4) Uani 0.770(6) 1 d PDU . 1
S40' S 0.6194(13) -0.0355(8) 0.7093(7) 0.103(4) Uiso 0.230(6) 1 d PDU . 2
O41' O 0.564(3) 0.0172(16) 0.6545(12) 0.097(6) Uiso 0.230(6) 1 d PDU . 2
O42' O 0.600(3) -0.0147(19) 0.7750(10) 0.109(7) Uiso 0.230(6) 1 d PDU . 2
O43' O 0.622(3) -0.1191(10) 0.6937(16) 0.109(7) Uiso 0.230(6) 1 d PDU . 2
C40' C 0.7921(16) -0.0082(16) 0.7201(14) 0.133(12) Uiso 0.230(6) 1 d PDU . 2
F41' F 0.813(3) 0.0676(19) 0.740(2) 0.171(8) Uiso 0.230(6) 1 d PDU . 2
F42' F 0.868(3) -0.053(3) 0.767(2) 0.178(7) Uiso 0.230(6) 1 d PDU . 2
F43' F 0.829(3) -0.017(2) 0.6624(17) 0.139(6) Uiso 0.230(6) 1 d PDU . 2
S50 S -0.0187(8) 0.3674(5) 0.2552(5) 0.050(2) Uiso 0.256(6) 1 d PDU A -1
O51 O 0.0423(19) 0.4237(10) 0.3079(9) 0.048(5) Uiso 0.256(6) 1 d PDU A -1
O52 O -0.114(2) 0.3163(15) 0.2756(15) 0.124(8) Uiso 0.256(6) 1 d PDU A -1
O53 O -0.052(3) 0.4033(16) 0.1897(9) 0.079(7) Uiso 0.256(6) 1 d PDU A -1
C50 C 0.1193(14) 0.3027(9) 0.2548(8) 0.056(6) Uiso 0.256(6) 1 d PDU A -1
F51 F 0.119(2) 0.2676(13) 0.1963(9) 0.092(6) Uiso 0.256(6) 1 d PDU A -1
F52 F 0.2320(17) 0.3445(15) 0.2671(15) 0.139(8) Uiso 0.256(6) 1 d PDU A -1
F53 F 0.125(2) 0.2491(11) 0.3036(9) 0.080(5) Uiso 0.256(6) 1 d PDU A -1
S50' S 0.0205(8) 0.3875(4) 0.2502(4) 0.040(2) Uiso 0.244(6) 1 d PDU A -2
O51' O 0.1457(19) 0.4183(15) 0.2893(14) 0.120(8) Uiso 0.244(6) 1 d PDU A -2
O52' O -0.081(2) 0.3893(16) 0.2887(14) 0.108(7) Uiso 0.244(6) 1 d PDU A -2
O53' O 0.001(2) 0.4093(12) 0.1826(6) 0.056(5) Uiso 0.244(6) 1 d PDU A -2
C50' C 0.0656(17) 0.2824(6) 0.2569(8) 0.078(9) Uiso 0.244(6) 1 d PDU A -2
F51' F 0.075(3) 0.2472(12) 0.2004(10) 0.093(6) Uiso 0.244(6) 1 d PDU A -2
F52' F 0.1808(17) 0.2752(11) 0.3021(9) 0.075(5) Uiso 0.244(6) 1 d PDU A -2
F53' F -0.011(2) 0.2362(11) 0.2859(13) 0.106(7) Uiso 0.244(6) 1 d PDU A -2
C60 C 0.578(5) 0.6932(11) 0.733(3) 0.123(14) Uiso 0.290(9) 1 d PDU B -1
H60A H 0.5632 0.6962 0.6832 0.148 Uiso 0.290(9) 1 calc PR B -1
H60B H 0.6740 0.7005 0.7523 0.148 Uiso 0.290(9) 1 calc PR B -1
Cl1 Cl 0.526(2) 0.5996(8) 0.7574(14) 0.126(5) Uiso 0.290(9) 1 d PDU B -1
Cl2 Cl 0.4868(14) 0.7683(6) 0.7633(6) 0.101(4) Uiso 0.290(9) 1 d PDU B -1
C60' C 0.580(10) 0.715(2) 0.7589(14) 0.143(19) Uiso 0.210(9) 1 d PDU B -2
H60C H 0.5197 0.7388 0.7852 0.172 Uiso 0.210(9) 1 calc PR B -2
H60D H 0.6709 0.7136 0.7879 0.172 Uiso 0.210(9) 1 calc PR B -2
Cl1' Cl 0.529(4) 0.6163(15) 0.7347(19) 0.160(10) Uiso 0.210(9) 1 d PDU B -2
Cl2' Cl 0.579(3) 0.7716(14) 0.6861(14) 0.155(9) Uiso 0.210(9) 1 d PDU B -2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 '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
S1 Au1 S1 173.92(7) . 2_656 ?
S1 Au1 Ag1 57.62(4) . . ?
S1 Au1 Ag1 116.72(4) 2_656 . ?
S1 Au1 Ag1 116.72(4) . 2_656 ?
S1 Au1 Ag1 57.62(4) 2_656 2_656 ?
Ag1 Au1 Ag1 72.01(7) . 2_656 ?
S1 Au1 Ag1' 54.61(11) . . ?
S1 Au1 Ag1' 119.37(11) 2_656 . ?
S1 Au1 Ag1' 119.37(11) . 2_656 ?
S1 Au1 Ag1' 54.61(11) 2_656 2_656 ?
Ag1' Au1 Ag1' 66.61(18) . 2_656 ?
O41 Ag1 O42 114.9(4) . 2_656 ?
O41 Ag1 S1 141.8(3) . . ?
O42 Ag1 S1 101.5(3) 2_656 . ?
O41 Ag1 Au1 108.8(3) . . ?
O42 Ag1 Au1 102.1(2) 2_656 . ?
S1 Ag1 Au1 49.44(3) . . ?
O42' Ag1' O41' 70.3(10) 2_656 . ?
O42' Ag1' S1 152.1(8) 2_656 . ?
O41' Ag1' S1 135.5(6) . . ?
O42' Ag1' Au1 123.0(9) 2_656 . ?
O41' Ag1' Au1 105.9(8) . . ?
S1 Ag1' Au1 49.25(8) . . ?
C2 S1 Au1 106.6(2) . . ?
C2 S1 Ag1' 111.7(2) . . ?
Au1 S1 Ag1' 76.14(13) . . ?
C2 S1 Ag1 99.64(19) . . ?
Au1 S1 Ag1 72.94(5) . . ?
N3 C2 C4 112.2(5) . . ?
N3 C2 S1 133.7(5) . . ?
C4 C2 S1 114.0(4) . . ?
C2 N3 C27 124.1(5) . . ?
N8 C4 N5 107.7(5) . . ?
N8 C4 C2 125.5(5) . . ?
N5 C4 C2 126.7(5) . . ?
C4 N5 C6 108.7(5) . . ?
C4 N5 C9 126.2(5) . . ?
C6 N5 C9 124.9(5) . . ?
C7 C6 N5 106.4(5) . . ?
C6 C7 N8 108.3(5) . . ?
C4 N8 C7 108.9(5) . . ?
C4 N8 C18 126.4(4) . . ?
C7 N8 C18 124.6(5) . . ?
C14 C9 C10 124.8(6) . . ?
C14 C9 N5 118.2(5) . . ?
C10 C9 N5 116.9(6) . . ?
C11 C10 C9 115.1(8) . . ?
C11 C10 C15 122.6(8) . . ?
C9 C10 C15 122.2(7) . . ?
C12 C11 C10 123.3(8) . . ?
C11 C12 C13 118.9(7) . . ?
C11 C12 C16 122.1(10) . . ?
C13 C12 C16 118.9(10) . . ?
C12 C13 C14 122.0(8) . . ?
C9 C14 C13 115.8(7) . . ?
C9 C14 C17 123.4(6) . . ?
C13 C14 C17 120.7(7) . . ?
C19 C18 C23 124.1(5) . . ?
C19 C18 N8 117.9(5) . . ?
C23 C18 N8 118.0(5) . . ?
C20 C19 C18 116.7(6) . . ?
C20 C19 C24 120.8(6) . . ?
C18 C19 C24 122.5(6) . . ?
C19 C20 C21 122.0(6) . . ?
C22 C21 C20 118.6(6) . . ?
C22 C21 C25 120.5(7) . . ?
C20 C21 C25 120.9(7) . . ?
C21 C22 C23 122.1(6) . . ?
C22 C23 C18 116.5(6) . . ?
C22 C23 C26 121.8(6) . . ?
C18 C23 C26 121.8(5) . . ?
C28 C27 C32 120.6(6) . . ?
C28 C27 N3 119.3(6) . . ?
C32 C27 N3 119.6(6) . . ?
C29 C28 C27 119.1(7) . . ?
C30 C29 C28 120.7(9) . . ?
C29 C30 C31 120.8(7) . . ?
C30 C31 C32 120.8(8) . . ?
C31 C32 C27 118.0(8) . . ?
O41 S40 O42 121.3(7) . . ?
O41 S40 O43 113.0(7) . . ?
O42 S40 O43 109.9(6) . . ?
O41 S40 C40 107.5(5) . . ?
O42 S40 C40 96.8(6) . . ?
O43 S40 C40 106.0(6) . . ?
S40 O41 Ag1 109.6(5) . . ?
S40 O42 Ag1 130.7(6) . 2_656 ?
F42 C40 F41 111.2(11) . . ?
F42 C40 F43 110.9(11) . . ?
F41 C40 F43 106.4(11) . . ?
F42 C40 S40 107.8(10) . . ?
F41 C40 S40 111.2(9) . . ?
F43 C40 S40 109.3(9) . . ?
O43' S40' O42' 117.1(13) . . ?
O43' S40' O41' 116.5(13) . . ?
O42' S40' O41' 117.4(13) . . ?
O43' S40' C40' 101.8(11) . . ?
O42' S40' C40' 99.3(11) . . ?
O41' S40' C40' 99.2(11) . . ?
S40' O41' Ag1' 109.4(15) . . ?
S40' O42' Ag1' 129.0(19) . 2_656 ?
F43' C40' F42' 109.1(15) . . ?
F43' C40' F41' 108.3(15) . . ?
F42' C40' F41' 107.0(15) . . ?
F43' C40' S40' 109.6(13) . . ?
F42' C40' S40' 111.2(14) . . ?
F41' C40' S40' 111.5(14) . . ?
O53 S50 O52 118.5(13) . . ?
O53 S50 O51 113.1(11) . . ?
O52 S50 O51 112.7(12) . . ?
O53 S50 C50 106.0(11) . . ?
O52 S50 C50 104.2(11) . . ?
O51 S50 C50 99.8(9) . . ?
F51 C50 F53 111.3(13) . . ?
F51 C50 F52 103.2(13) . . ?
F53 C50 F52 108.2(14) . . ?
F51 C50 S50 115.2(11) . . ?
F53 C50 S50 108.2(10) . . ?
F52 C50 S50 110.6(12) . . ?
O53' S50' O52' 124.2(12) . . ?
O53' S50' O51' 111.7(12) . . ?
O52' S50' O51' 111.3(13) . . ?
O53' S50' C50' 107.9(10) . . ?
O52' S50' C50' 100.7(10) . . ?
O51' S50' C50' 96.6(10) . . ?
F51' C50' F53' 107.1(14) . . ?
F51' C50' F52' 109.4(14) . . ?
F53' C50' F52' 99.9(13) . . ?
F51' C50' S50' 115.7(12) . . ?
F53' C50' S50' 115.1(12) . . ?
F52' C50' S50' 108.3(10) . . ?
Cl1 C60 Cl2 108.3(11) . . ?
Cl2' C60' Cl1' 108.8(13) . . ?
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 S1 2.3095(13) . ?
Au1 S1 2.3095(13) 2_656 ?
Au1 Ag1 2.9064(12) . ?
Au1 Ag1 2.9064(12) 2_656 ?
Au1 Ag1' 2.960(4) . ?
Au1 Ag1' 2.960(4) 2_656 ?
Ag1 O41 2.344(9) . ?
Ag1 O42 2.442(10) 2_656 ?
Ag1 S1 2.5675(18) . ?
Ag1' O42' 1.92(3) 2_656 ?
Ag1' O41' 2.36(3) . ?
Ag1' S1 2.486(5) . ?
S1 C2 1.755(6) . ?
C2 N3 1.276(7) . ?
C2 C4 1.496(7) . ?
N3 C27 1.417(8) . ?
C4 N8 1.334(7) . ?
C4 N5 1.343(7) . ?
N5 C6 1.400(8) . ?
N5 C9 1.450(7) . ?
C6 C7 1.332(9) . ?
C7 N8 1.378(8) . ?
N8 C18 1.454(7) . ?
C9 C14 1.383(9) . ?
C9 C10 1.389(9) . ?
C10 C11 1.388(12) . ?
C10 C15 1.517(13) . ?
C11 C12 1.362(15) . ?
C12 C13 1.372(13) . ?
C12 C16 1.540(11) . ?
C13 C14 1.400(10) . ?
C14 C17 1.487(11) . ?
C18 C19 1.385(8) . ?
C18 C23 1.394(8) . ?
C19 C20 1.385(9) . ?
C19 C24 1.508(9) . ?
C20 C21 1.397(10) . ?
C21 C22 1.382(10) . ?
C21 C25 1.510(9) . ?
C22 C23 1.391(9) . ?
C23 C26 1.504(9) . ?
C27 C28 1.392(10) . ?
C27 C32 1.396(10) . ?
C28 C29 1.387(10) . ?
C29 C30 1.346(14) . ?
C30 C31 1.374(16) . ?
C31 C32 1.394(11) . ?
S40 O41 1.417(7) . ?
S40 O42 1.433(8) . ?
S40 O43 1.459(8) . ?
S40 C40 1.759(8) . ?
O42 Ag1 2.442(10) 2_656 ?
C40 F42 1.272(9) . ?
C40 F41 1.328(9) . ?
C40 F43 1.330(9) . ?
S40' O43' 1.424(10) . ?
S40' O42' 1.430(10) . ?
S40' O41' 1.431(10) . ?
S40' C40' 1.805(9) . ?
O42' Ag1' 1.92(3) 2_656 ?
C40' F43' 1.315(10) . ?
C40' F42' 1.323(10) . ?
C40' F41' 1.324(10) . ?
S50 O53 1.426(9) . ?
S50 O52 1.427(9) . ?
S50 O51 1.455(9) . ?
S50 C50 1.784(9) . ?
C50 F51 1.320(10) . ?
C50 F53 1.321(10) . ?
C50 F52 1.331(10) . ?
S50' O53' 1.387(9) . ?
S50' O52' 1.429(9) . ?
S50' O51' 1.454(10) . ?
S50' C50' 1.802(9) . ?
C50' F51' 1.309(10) . ?
C50' F53' 1.325(10) . ?
C50' F52' 1.340(10) . ?
C60 Cl1 1.749(11) . ?
C60 Cl2 1.750(11) . ?
C60' Cl2' 1.751(11) . ?
C60' Cl1' 1.751(11) . ?
