#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:11:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179366 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/63/4326367.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_4326367
loop_
_publ_author_name
'Olga Crespo'
'M. Concepción Gimeno'
'Antonio Laguna'
'Fernando J. Lahoz'
'Carmen Larraz'
_publ_section_title
;
 Unprecedented Luminescent Heteropolynuclear Aggregates with Gold
 Thiolates as Building Blocks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9533
_journal_page_last               9544
_journal_paper_doi               10.1021/ic201245q
_journal_volume                  50
_journal_year                    2011
_chemical_formula_sum            'C51 H35 Ag2 Au2 F16 N2 O6 P2 S4'
_chemical_formula_weight         1875.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.095(2)
_cell_angle_beta                 107.186(3)
_cell_angle_gamma                101.797(3)
_cell_formula_units_Z            2
_cell_length_a                   12.1510(19)
_cell_length_b                   14.676(2)
_cell_length_c                   17.507(3)
_cell_measurement_reflns_used    5662
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      2.48
_cell_volume                     2862.6(8)
_computing_cell_refinement       'SAINT+ v. 6.02 (Bruker AXS, 1999)'
_computing_data_collection       'SMART v. 5.611 (Bruker AXS, 2000)'
_computing_data_reduction        'SAINT+ v. 6.02 (Bruker AXS, 1999)'
_computing_molecular_graphics    XP
_computing_publication_material  XCIF
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 8.26
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker SMART APEX CCD system'
_diffrn_measurement_method       'ω rotations with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0198
_diffrn_reflns_av_sigmaI/netI    0.0313
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            16709
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    6.088
_exptl_absorpt_correction_T_max  0.2313
_exptl_absorpt_correction_T_min  0.1842
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.176
_exptl_crystal_description       prism
_exptl_crystal_F_000             1786
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.34
_refine_diff_density_max         1.616
_refine_diff_density_min         -1.077
_refine_diff_density_rms         0.130
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.006
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     752
_refine_ls_number_reflns         10983
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0278
_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)+(0.0449P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0708
_reflns_number_gt                9896
_reflns_number_total             10983
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic201245q_si_002.cif
_cod_data_source_block           con70as
_cod_original_cell_volume        2862.5(8)
_cod_database_code               4326367
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
Au1 Au 0.334377(14) 0.550371(11) 0.333496(9) 0.01795(5) Uani 1 1 d .
Au2 Au 0.296618(14) 0.236960(11) 0.265706(9) 0.01757(5) Uani 1 1 d .
Ag1 Ag 0.19417(3) 0.39265(2) 0.194091(19) 0.02305(8) Uani 1 1 d .
Ag2 Ag 0.47542(3) 0.41724(2) 0.266901(19) 0.02186(8) Uani 1 1 d .
P1 P 0.18734(10) 0.61264(8) 0.26624(7) 0.0215(2) Uani 1 1 d .
P2 P 0.44384(10) 0.18481(8) 0.23504(7) 0.0193(2) Uani 1 1 d .
S1 S 0.48065(9) 0.48185(7) 0.40158(6) 0.0193(2) Uani 1 1 d .
C1 C 0.6115(4) 0.5765(3) 0.4404(2) 0.0190(9) Uani 1 1 d .
C2 C 0.6139(4) 0.6693(3) 0.4661(2) 0.0222(9) Uani 1 1 d .
C3 C 0.7183(4) 0.7397(3) 0.4993(3) 0.0267(10) Uani 1 1 d .
C4 C 0.8251(4) 0.7188(3) 0.5083(3) 0.0277(10) Uani 1 1 d .
C5 C 0.8254(4) 0.6262(3) 0.4842(3) 0.0273(10) Uani 1 1 d .
C6 C 0.7212(4) 0.5560(3) 0.4518(3) 0.0231(9) Uani 1 1 d .
F1 F 0.5123(2) 0.69523(18) 0.46037(16) 0.0304(6) Uani 1 1 d .
F2 F 0.7149(3) 0.8290(2) 0.52394(19) 0.0438(8) Uani 1 1 d .
F3 F 0.9273(2) 0.7856(2) 0.54098(17) 0.0388(7) Uani 1 1 d .
F4 F 0.9312(2) 0.6037(2) 0.4954(2) 0.0437(8) Uani 1 1 d .
F5 F 0.7265(2) 0.46617(19) 0.43050(18) 0.0355(7) Uani 1 1 d .
C11 C 0.2112(4) 0.7391(3) 0.3013(3) 0.0295(11) Uani 1 1 d .
C12 C 0.3243(4) 0.7969(3) 0.3236(3) 0.0295(11) Uani 1 1 d .
H12 H 0.3883 0.7703 0.3208 0.035 Uiso 1 1 calc R
C13 C 0.3460(5) 0.8939(3) 0.3502(3) 0.0387(13) Uani 1 1 d .
H13 H 0.4243 0.9336 0.3651 0.046 Uiso 1 1 calc R
C14 C 0.2537(6) 0.9320(4) 0.3550(4) 0.0609(19) Uani 1 1 d .
H14 H 0.2678 0.9984 0.3734 0.073 Uiso 1 1 calc R
C15 C 0.1418(6) 0.8746(5) 0.3334(5) 0.076(2) Uani 1 1 d .
H15 H 0.0782 0.9018 0.3363 0.091 Uiso 1 1 calc R
C16 C 0.1185(5) 0.7779(4) 0.3075(4) 0.0573(19) Uani 1 1 d .
H16 H 0.0402 0.7385 0.2940 0.069 Uiso 1 1 calc R
C21 C 0.0432(4) 0.5545(3) 0.2689(3) 0.0264(10) Uani 1 1 d .
C22 C 0.0363(4) 0.5132(3) 0.3346(3) 0.0300(11) Uani 1 1 d .
H22 H 0.1071 0.5138 0.3766 0.036 Uiso 1 1 calc R
C23 C -0.0734(5) 0.4711(4) 0.3391(4) 0.0385(12) Uani 1 1 d .
H23 H -0.0780 0.4426 0.3843 0.046 Uiso 1 1 calc R
C24 C -0.1773(5) 0.4700(4) 0.2776(4) 0.0416(13) Uani 1 1 d .
H24 H -0.2527 0.4408 0.2809 0.050 Uiso 1 1 calc R
C25 C -0.1710(4) 0.5113(4) 0.2120(3) 0.0374(13) Uani 1 1 d .
H25 H -0.2421 0.5105 0.1701 0.045 Uiso 1 1 calc R
C26 C -0.0609(4) 0.5543(3) 0.2068(3) 0.0290(11) Uani 1 1 d .
H26 H -0.0563 0.5831 0.1618 0.035 Uiso 1 1 calc R
C31 C 0.1740(4) 0.5966(3) 0.1585(3) 0.0268(10) Uani 1 1 d .
C32 C 0.1551(5) 0.6664(4) 0.1139(3) 0.0382(13) Uani 1 1 d .
H32 H 0.1445 0.7243 0.1378 0.046 Uiso 1 1 calc R
C33 C 0.1518(6) 0.6503(4) 0.0331(3) 0.0536(18) Uani 1 1 d .
H33 H 0.1379 0.6966 0.0004 0.064 Uiso 1 1 calc R
C34 C 0.1692(6) 0.5661(4) 0.0016(3) 0.062(2) Uani 1 1 d .
H34 H 0.1707 0.5546 -0.0526 0.074 Uiso 1 1 calc R
C35 C 0.1845(6) 0.4976(4) 0.0493(3) 0.0454(15) Uani 1 1 d .
H35 H 0.1936 0.4387 0.0261 0.054 Uiso 1 1 calc R
N1 N 0.1870(4) 0.5121(3) 0.1267(2) 0.0293(9) Uani 1 1 d .
S2 S 0.15206(9) 0.30138(7) 0.29682(6) 0.0196(2) Uani 1 1 d .
C41 C 0.0184(4) 0.2137(3) 0.2414(3) 0.0210(9) Uani 1 1 d .
C42 C -0.0743(4) 0.2355(3) 0.1847(3) 0.0246(10) Uani 1 1 d .
C43 C -0.1788(4) 0.1689(4) 0.1417(3) 0.0325(12) Uani 1 1 d .
C44 C -0.1957(4) 0.0773(4) 0.1549(3) 0.0340(12) Uani 1 1 d .
C45 C -0.1047(5) 0.0537(3) 0.2117(3) 0.0340(12) Uani 1 1 d .
C46 C 0.0005(4) 0.1214(3) 0.2529(3) 0.0247(10) Uani 1 1 d .
F6 F -0.0634(2) 0.32409(19) 0.16874(16) 0.0310(6) Uani 1 1 d .
F7 F -0.2658(3) 0.1927(2) 0.08631(18) 0.0477(8) Uani 1 1 d .
F8 F -0.2978(3) 0.0122(2) 0.1143(2) 0.0514(9) Uani 1 1 d .
F9 F -0.1193(3) -0.03530(19) 0.22511(19) 0.0462(8) Uani 1 1 d .
F10 F 0.0857(3) 0.09458(18) 0.30612(16) 0.0336(6) Uani 1 1 d .
C51 C 0.4215(4) 0.0588(3) 0.2041(3) 0.0274(10) Uani 1 1 d .
C52 C 0.3127(5) 0.0060(3) 0.1491(3) 0.0345(12) Uani 1 1 d .
H52 H 0.2495 0.0353 0.1303 0.041 Uiso 1 1 calc R
C53 C 0.2970(6) -0.0907(4) 0.1216(3) 0.0466(15) Uani 1 1 d .
H53 H 0.2227 -0.1269 0.0835 0.056 Uiso 1 1 calc R
C54 C 0.3856(6) -0.1341(4) 0.1481(4) 0.0539(17) Uani 1 1 d .
H54 H 0.3734 -0.2001 0.1291 0.065 Uiso 1 1 calc R
C55 C 0.4927(6) -0.0817(4) 0.2025(5) 0.0605(19) Uani 1 1 d .
H55 H 0.5553 -0.1118 0.2201 0.073 Uiso 1 1 calc R
C56 C 0.5123(5) 0.0141(4) 0.2326(4) 0.0427(14) Uani 1 1 d .
H56 H 0.5863 0.0488 0.2719 0.051 Uiso 1 1 calc R
C61 C 0.5845(4) 0.2227(3) 0.3169(3) 0.0210(9) Uani 1 1 d .
C62 C 0.6932(4) 0.2351(3) 0.3034(3) 0.0260(10) Uani 1 1 d .
H62 H 0.6959 0.2332 0.2496 0.031 Uiso 1 1 calc R
C63 C 0.7978(4) 0.2502(3) 0.3682(3) 0.0309(11) Uani 1 1 d .
H63 H 0.8719 0.2569 0.3587 0.037 Uiso 1 1 calc R
C64 C 0.7938(4) 0.2555(3) 0.4469(3) 0.0316(11) Uani 1 1 d .
H64 H 0.8656 0.2669 0.4914 0.038 Uiso 1 1 calc R
C65 C 0.6886(4) 0.2447(4) 0.4612(3) 0.0313(11) Uani 1 1 d .
H65 H 0.6873 0.2482 0.5155 0.038 Uiso 1 1 calc R
C66 C 0.5823(4) 0.2285(3) 0.3969(3) 0.0256(10) Uani 1 1 d .
H66 H 0.5089 0.2215 0.4072 0.031 Uiso 1 1 calc R
C71 C 0.4692(4) 0.2348(3) 0.1496(3) 0.0222(9) Uani 1 1 d .
C72 C 0.4719(4) 0.1812(4) 0.0800(3) 0.0312(11) Uani 1 1 d .
H72 H 0.4636 0.1148 0.0755 0.037 Uiso 1 1 calc R
C73 C 0.4868(5) 0.2247(4) 0.0173(3) 0.0412(13) Uani 1 1 d .
H73 H 0.4876 0.1885 -0.0314 0.049 Uiso 1 1 calc R
C74 C 0.5005(5) 0.3209(4) 0.0256(3) 0.0420(14) Uani 1 1 d .
H74 H 0.5122 0.3524 -0.0167 0.050 Uiso 1 1 calc R
C75 C 0.4969(5) 0.3713(4) 0.0968(3) 0.0350(12) Uani 1 1 d .
H75 H 0.5059 0.4379 0.1023 0.042 Uiso 1 1 calc R
N2 N 0.4813(3) 0.3301(3) 0.1580(2) 0.0242(8) Uani 1 1 d .
S3 S 0.09088(13) 0.19622(9) 0.04444(7) 0.0374(3) Uani 1 1 d .
O1 O 0.1694(5) 0.2896(3) 0.0659(2) 0.0775(17) Uani 1 1 d .
O2 O -0.0304(5) 0.1923(5) 0.0277(3) 0.090(2) Uani 1 1 d .
O3 O 0.1327(4) 0.1343(3) 0.0952(2) 0.0611(13) Uani 1 1 d .
C80 C 0.1002(5) 0.1515(4) -0.0535(3) 0.0389(13) Uani 1 1 d .
F11 F 0.0660(4) 0.2058(3) -0.10669(19) 0.0675(11) Uani 1 1 d .
F12 F 0.0290(4) 0.0662(3) -0.0856(2) 0.0767(13) Uani 1 1 d .
F13 F 0.2069(3) 0.1481(3) -0.0509(2) 0.0778(13) Uani 1 1 d .
S4 S 0.55857(10) 0.65022(8) 0.22298(7) 0.0245(2) Uani 1 1 d .
O4 O 0.5844(4) 0.5600(2) 0.2327(3) 0.0580(13) Uani 1 1 d .
O5 O 0.4724(4) 0.6493(4) 0.1477(2) 0.0761(17) Uani 1 1 d .
O6 O 0.5445(4) 0.7012(3) 0.2923(2) 0.0483(10) Uani 1 1 d .
C81 C 0.6980(6) 0.7158(4) 0.2154(5) 0.062(2) Uani 1 1 d .
F14 F 0.7184(4) 0.6741(3) 0.1507(3) 0.0809(14) Uani 1 1 d .
F15 F 0.6911(5) 0.8018(3) 0.2049(5) 0.162(3) Uani 1 1 d .
F16 F 0.7880(3) 0.7201(3) 0.2798(3) 0.1021(18) Uani 1 1 d .
C92 C 0.9556(6) 1.0035(6) 0.4961(5) 0.077(2) Uiso 1 1 d .
H92A H 0.9599 1.0709 0.5152 0.093 Uiso 1 1 calc R
H92B H 0.9230 0.9660 0.5314 0.093 Uiso 1 1 calc R
C91 C 0.8787(10) 0.9751(9) 0.4186(7) 0.125(4) Uiso 1 1 d .
H91A H 0.9116 1.0106 0.3824 0.151 Uiso 1 1 calc R
H91B H 0.8701 0.9067 0.3999 0.151 Uiso 1 1 calc R
C90 C 0.7756(15) 0.9888(11) 0.4134(10) 0.211(7) Uiso 1 1 d .
H90A H 0.7188 0.9278 0.4060 0.316 Uiso 1 1 calc R
H90B H 0.7482 1.0188 0.3666 0.316 Uiso 1 1 calc R
H90C H 0.7812 1.0304 0.4634 0.316 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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'
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
P1 Au1 S1 178.14(4) .
P1 Au1 Ag1 78.50(3) .
S1 Au1 Ag1 100.08(3) .
P1 Au1 Ag2 130.68(3) .
S1 Au1 Ag2 48.95(3) .
Ag1 Au1 Ag2 62.748(14) .
P2 Au2 S2 175.92(4) .
P2 Au2 Ag1 123.86(3) .
S2 Au2 Ag1 52.92(3) .
P2 Au2 Ag2 75.44(3) .
S2 Au2 Ag2 100.50(3) .
Ag1 Au2 Ag2 63.259(14) .
N1 Ag1 O1 87.85(14) .
N1 Ag1 S2 154.14(11) .
O1 Ag1 S2 112.38(10) .
N1 Ag1 Au1 81.94(9) .
O1 Ag1 Au1 151.74(14) .
S2 Ag1 Au1 86.26(3) .
N1 Ag1 Au2 156.03(11) .
O1 Ag1 Au2 81.91(11) .
S2 Ag1 Au2 48.35(2) .
Au1 Ag1 Au2 97.006(15) .
N1 Ag1 Ag2 101.20(11) .
O1 Ag1 Ag2 94.69(15) .
S2 Ag1 Ag2 93.31(3) .
Au1 Ag1 Ag2 61.989(10) .
Au2 Ag1 Ag2 58.469(10) .
N2 Ag2 S1 166.23(10) .
N2 Ag2 O4 89.70(14) .
S1 Ag2 O4 100.39(11) .
N2 Ag2 Au2 82.34(10) .
S1 Ag2 Au2 89.64(3) .
O4 Ag2 Au2 165.39(12) .
N2 Ag2 Au1 144.54(9) .
S1 Ag2 Au1 46.51(2) .
O4 Ag2 Au1 86.98(8) .
Au2 Ag2 Au1 92.394(16) .
N2 Ag2 Ag1 93.47(10) .
S1 Ag2 Ag1 91.77(3) .
O4 Ag2 Ag1 110.35(10) .
Au2 Ag2 Ag1 58.272(11) .
Au1 Ag2 Ag1 55.262(11) .
C21 P1 C11 107.4(2) .
C21 P1 C31 105.6(2) .
C11 P1 C31 106.2(2) .
C21 P1 Au1 113.12(16) .
C11 P1 Au1 114.54(15) .
C31 P1 Au1 109.33(16) .
C51 P2 C61 104.9(2) .
C51 P2 C71 104.8(2) .
C61 P2 C71 106.0(2) .
C51 P2 Au2 118.21(16) .
C61 P2 Au2 113.31(15) .
C71 P2 Au2 108.67(14) .
C1 S1 Au1 104.45(14) .
C1 S1 Ag2 104.78(14) .
Au1 S1 Ag2 84.54(3) .
C2 C1 C6 116.4(4) .
C2 C1 S1 124.6(3) .
C6 C1 S1 118.8(3) .
F1 C2 C1 120.6(4) .
F1 C2 C3 116.8(4) .
C1 C2 C3 122.5(4) .
F2 C3 C4 119.8(4) .
F2 C3 C2 119.8(4) .
C4 C3 C2 120.4(4) .
F3 C4 C3 121.4(4) .
F3 C4 C5 120.2(4) .
C3 C4 C5 118.3(4) .
F4 C5 C6 119.8(4) .
F4 C5 C4 119.0(4) .
C6 C5 C4 121.2(4) .
F5 C6 C5 118.9(4) .
F5 C6 C1 120.0(4) .
C5 C6 C1 121.2(4) .
C12 C11 C16 119.5(5) .
C12 C11 P1 118.9(4) .
C16 C11 P1 121.5(4) .
C11 C12 C13 120.6(5) .
C14 C13 C12 119.6(5) .
C15 C14 C13 119.8(5) .
C14 C15 C16 121.6(6) .
C15 C16 C11 118.9(6) .
C22 C21 C26 120.3(5) .
C22 C21 P1 119.0(3) .
C26 C21 P1 120.6(4) .
C23 C22 C21 119.9(5) .
C22 C23 C24 120.3(5) .
C25 C24 C23 120.0(5) .
C24 C25 C26 120.2(5) .
C25 C26 C21 119.2(5) .
N1 C31 C32 123.0(5) .
N1 C31 P1 114.8(3) .
C32 C31 P1 122.2(4) .
C31 C32 C33 118.6(5) .
C34 C33 C32 118.5(5) .
C33 C34 C35 119.9(6) .
N1 C35 C34 122.0(5) .
C35 N1 C31 117.9(4) .
C35 N1 Ag1 119.1(3) .
C31 N1 Ag1 122.7(3) .
C41 S2 Au2 102.86(14) .
C41 S2 Ag1 104.13(14) .
Au2 S2 Ag1 78.73(3) .
C46 C41 C42 116.7(4) .
C46 C41 S2 122.2(3) .
C42 C41 S2 121.2(3) .
F6 C42 C43 117.4(4) .
F6 C42 C41 120.5(4) .
C43 C42 C41 122.0(4) .
F7 C43 C42 120.2(5) .
F7 C43 C44 119.4(5) .
C42 C43 C44 120.4(5) .
F8 C44 C43 120.9(5) .
F8 C44 C45 120.4(5) .
C43 C44 C45 118.7(5) .
F9 C45 C46 120.5(5) .
F9 C45 C44 119.6(5) .
C46 C45 C44 119.8(5) .
F10 C46 C41 120.4(4) .
F10 C46 C45 117.4(4) .
C41 C46 C45 122.3(4) .
C52 C51 C56 119.6(4) .
C52 C51 P2 118.9(4) .
C56 C51 P2 121.4(4) .
C51 C52 C53 119.2(5) .
C54 C53 C52 121.4(6) .
C53 C54 C55 119.1(5) .
C54 C55 C56 121.8(6) .
C55 C56 C51 118.8(5) .
C62 C61 C66 119.2(4) .
C62 C61 P2 122.6(3) .
C66 C61 P2 117.8(3) .
C63 C62 C61 120.3(4) .
C62 C63 C64 119.6(4) .
C65 C64 C63 120.8(4) .
C64 C65 C66 120.5(4) .
C65 C66 C61 119.6(4) .
N2 C71 C72 121.6(4) .
N2 C71 P2 114.8(3) .
C72 C71 P2 123.5(4) .
C73 C72 C71 119.4(5) .
C74 C73 C72 119.3(5) .
C73 C74 C75 118.8(5) .
N2 C75 C74 122.7(5) .
C75 N2 C71 118.1(4) .
C75 N2 Ag2 119.2(3) .
C71 N2 Ag2 122.7(3) .
O2 S3 O3 114.5(3) .
O2 S3 O1 115.7(4) .
O3 S3 O1 113.5(3) .
O2 S3 C80 103.6(3) .
O3 S3 C80 105.3(3) .
O1 S3 C80 102.2(3) .
S3 O1 Ag1 119.1(3) .
F13 C80 F12 108.1(5) .
F13 C80 F11 106.4(5) .
F12 C80 F11 105.8(4) .
F13 C80 S3 113.3(4) .
F12 C80 S3 111.6(4) .
F11 C80 S3 111.2(4) .
O5 S4 O6 114.7(3) .
O5 S4 O4 114.8(3) .
O6 S4 O4 114.7(3) .
O5 S4 C81 104.1(3) .
O6 S4 C81 105.8(3) .
O4 S4 C81 100.6(2) .
S4 O4 Ag2 132.0(2) .
F16 C81 F15 110.1(7) .
F16 C81 F14 107.9(5) .
F15 C81 F14 107.0(7) .
F16 C81 S4 111.6(5) .
F15 C81 S4 109.7(4) .
F14 C81 S4 110.4(5) .
C92 C92 C91 115.1(12) 2_776
C90 C91 C92 111.7(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.2591(11) .
Au1 S1 2.3164(10) .
Au1 Ag1 2.9583(5) .
Au1 Ag2 3.1782(5) .
Au2 P2 2.2583(11) .
Au2 S2 2.3223(11) .
Au2 Ag1 3.0481(5) .
Au2 Ag2 3.0545(5) .
Ag1 N1 2.232(4) .
Ag1 O1 2.447(4) .
Ag1 S2 2.4797(11) .
Ag1 Ag2 3.2003(7) .
Ag2 N2 2.189(4) .
Ag2 S1 2.4078(11) .
Ag2 O4 2.479(4) .
P1 C21 1.802(5) .
P1 C11 1.816(5) .
P1 C31 1.826(5) .
P2 C51 1.802(5) .
P2 C61 1.803(4) .
P2 C71 1.822(4) .
S1 C1 1.773(4) .
C1 C2 1.372(6) .
C1 C6 1.388(6) .
C2 F1 1.344(5) .
C2 C3 1.376(6) .
C3 F2 1.342(5) .
C3 C4 1.362(7) .
C4 F3 1.332(5) .
C4 C5 1.375(7) .
C5 F4 1.356(5) .
C5 C6 1.372(6) .
C6 F5 1.345(5) .
C11 C12 1.373(7) .
C11 C16 1.387(7) .
C12 C13 1.386(7) .
C13 C14 1.370(8) .
C14 C15 1.361(9) .
C15 C16 1.379(8) .
C21 C22 1.380(7) .
C21 C26 1.402(6) .
C22 C23 1.379(7) .
C23 C24 1.392(7) .
C24 C25 1.378(8) .
C25 C26 1.392(7) .
C31 N1 1.354(6) .
C31 C32 1.378(6) .
C32 C33 1.393(8) .
C33 C34 1.372(9) .
C34 C35 1.390(8) .
C35 N1 1.337(6) .
S2 C41 1.772(5) .
C41 C46 1.376(6) .
C41 C42 1.387(6) .
C42 F6 1.352(5) .
C42 C43 1.371(7) .
C43 F7 1.346(6) .
C43 C44 1.376(7) .
C44 F8 1.336(5) .
C44 C45 1.386(7) .
C45 F9 1.342(6) .
C45 C46 1.379(7) .
C46 F10 1.335(5) .
C51 C52 1.385(7) .
C51 C56 1.396(7) .
C52 C53 1.397(7) .
C53 C54 1.355(9) .
C54 C55 1.368(9) .
C55 C56 1.384(8) .
C61 C62 1.390(6) .
C61 C66 1.400(6) .
C62 C63 1.387(6) .
C63 C64 1.387(7) .
C64 C65 1.355(7) .
C65 C66 1.393(6) .
C71 N2 1.360(6) .
C71 C72 1.380(6) .
C72 C73 1.375(7) .
C73 C74 1.372(8) .
C74 C75 1.386(7) .
C75 N2 1.335(6) .
S3 O2 1.403(5) .
S3 O3 1.412(4) .
S3 O1 1.434(5) .
S3 C80 1.803(5) .
C80 F13 1.296(6) .
C80 F12 1.314(6) .
C80 F11 1.328(6) .
S4 O5 1.417(4) .
S4 O6 1.418(4) .
S4 O4 1.440(4) .
S4 C81 1.820(6) .
C81 F16 1.302(8) .
C81 F15 1.314(6) .
C81 F14 1.332(8) .
C92 C92 1.075(14) 2_776
C92 C91 1.356(12) .
C91 C90 1.288(17) .
