#------------------------------------------------------------------------------
#$Date: 2016-03-22 11:26:18 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178899 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/28/4112825.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_4112825
loop_
_publ_author_name
'Quan-Ming Wang'
'Young-A. Lee'
'Olga Crespo'
'Joseph Deaton'
'Ching Tang'
'Henry J. Gysling'
'M. Concepción Gimeno'
'Carmen Larraz'
'M. Dolores Villacampa'
'Antonio Laguna'
'Richard Eisenberg'
_publ_section_title
;
 Intensely Luminescent Gold(I)-Silver(I) Cluster Complexes with Tunable
 Structural Features
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9488
_journal_page_last               9489
_journal_paper_doi               10.1021/ja048091d
_journal_volume                  126
_journal_year                    2004
_chemical_formula_sum            'C53 H50 Ag Au3 B2 Cl2 F8 N3 O3 P3'
_chemical_formula_weight         1813.16
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 98.7750(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.6338(9)
_cell_length_b                   12.7462(8)
_cell_length_c                   31.6081(19)
_cell_measurement_temperature    193(2)
_cell_volume                     5826.7(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.919
_diffrn_measured_fraction_theta_max 0.919
_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  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            33870
_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    8.105
_exptl_absorpt_correction_T_max  0.928
_exptl_absorpt_correction_T_min  0.693
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.067
_exptl_crystal_description       plate
_exptl_crystal_F_000             3432
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.716
_refine_diff_density_min         -1.728
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     677
_refine_ls_number_reflns         13256
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0501
_refine_ls_R_factor_gt           0.0350
_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)+(0.0513P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0896
_reflns_number_gt                10601
_reflns_number_total             13256
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja048091dsi20040402_104930_1.cif
_cod_data_source_block           1
_cod_database_code               4112825
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.048051(15) 0.539920(18) 0.064980(7) 0.02669(6) Uani 1 1 d .
Au2 Au -0.112836(15) 0.417663(18) 0.020797(7) 0.02712(6) Uani 1 1 d .
Au3 Au 0.008671(15) 0.315511(18) 0.091959(7) 0.02716(6) Uani 1 1 d .
Ag1 Ag -0.11066(3) 0.48664(4) 0.109341(15) 0.03433(11) Uani 1 1 d .
O1 O 0.0294(3) 0.3927(3) 0.03721(12) 0.0276(9) Uani 1 1 d .
P1 P 0.06107(11) 0.69541(13) 0.09757(5) 0.0313(3) Uani 1 1 d .
P2 P -0.26441(10) 0.45020(13) 0.01226(5) 0.0314(3) Uani 1 1 d .
P3 P -0.02672(11) 0.23760(13) 0.15042(5) 0.0296(3) Uani 1 1 d .
N1 N -0.1172(3) 0.6695(4) 0.11205(17) 0.0347(12) Uani 1 1 d .
N2 N -0.2645(4) 0.4235(4) 0.09674(17) 0.0384(13) Uani 1 1 d .
N3 N -0.0621(4) 0.4285(4) 0.18074(17) 0.0372(12) Uani 1 1 d .
C1 C -0.0504(4) 0.7413(5) 0.11043(18) 0.0314(13) Uani 1 1 d .
C2 C -0.1987(5) 0.7053(6) 0.1210(2) 0.0453(17) Uani 1 1 d .
H2A H -0.2470 0.6560 0.1220 0.054 Uiso 1 1 calc R
C3 C -0.2165(5) 0.8096(6) 0.1289(3) 0.054(2) Uani 1 1 d .
H3A H -0.2755 0.8314 0.1346 0.065 Uiso 1 1 calc R
C4 C -0.1460(5) 0.8804(6) 0.1282(3) 0.054(2) Uani 1 1 d .
H4A H -0.1548 0.9523 0.1344 0.065 Uiso 1 1 calc R
C5 C -0.0631(5) 0.8466(6) 0.1184(2) 0.0462(17) Uani 1 1 d .
H5A H -0.0143 0.8952 0.1172 0.055 Uiso 1 1 calc R
C6 C 0.0950(4) 0.8007(5) 0.0648(2) 0.0320(13) Uani 1 1 d .
C7 C 0.0474(4) 0.8087(5) 0.0228(2) 0.0358(14) Uani 1 1 d .
H7A H 0.0011 0.7587 0.0127 0.043 Uiso 1 1 calc R
C8 C 0.0672(5) 0.8884(5) -0.0037(2) 0.0438(17) Uani 1 1 d .
H8A H 0.0327 0.8946 -0.0315 0.053 Uiso 1 1 calc R
C9 C 0.1368(6) 0.9594(6) 0.0099(2) 0.0500(19) Uani 1 1 d .
H9A H 0.1526 1.0117 -0.0091 0.060 Uiso 1 1 calc R
C10 C 0.1829(6) 0.9543(6) 0.0509(3) 0.054(2) Uani 1 1 d .
H10A H 0.2287 1.0052 0.0606 0.065 Uiso 1 1 calc R
C11 C 0.1634(5) 0.8750(5) 0.0785(2) 0.0410(16) Uani 1 1 d .
H11A H 0.1966 0.8714 0.1067 0.049 Uiso 1 1 calc R
C12 C 0.1381(5) 0.6933(5) 0.1480(2) 0.0376(15) Uani 1 1 d .
C13 C 0.2328(5) 0.6779(6) 0.1478(2) 0.0491(18) Uani 1 1 d .
H13A H 0.2554 0.6724 0.1212 0.059 Uiso 1 1 calc R
C14 C 0.2938(5) 0.6707(6) 0.1855(3) 0.055(2) Uani 1 1 d .
H14A H 0.3582 0.6629 0.1850 0.066 Uiso 1 1 calc R
C15 C 0.2612(6) 0.6748(6) 0.2235(2) 0.054(2) Uani 1 1 d .
H15A H 0.3026 0.6676 0.2496 0.065 Uiso 1 1 calc R
C16 C 0.1680(6) 0.6895(6) 0.2242(2) 0.053(2) Uani 1 1 d .
H16A H 0.1460 0.6936 0.2509 0.064 Uiso 1 1 calc R
C17 C 0.1058(5) 0.6982(6) 0.1868(2) 0.0445(17) Uani 1 1 d .
H17A H 0.0418 0.7074 0.1877 0.053 Uiso 1 1 calc R
C18 C -0.3161(4) 0.4055(5) 0.0577(2) 0.0350(14) Uani 1 1 d .
C19 C -0.3024(5) 0.3949(6) 0.1314(2) 0.0477(18) Uani 1 1 d .
H19A H -0.2682 0.4069 0.1590 0.057 Uiso 1 1 calc R
C20 C -0.3893(5) 0.3487(7) 0.1284(3) 0.056(2) Uani 1 1 d .
H20A H -0.4136 0.3305 0.1536 0.067 Uiso 1 1 calc R
C21 C -0.4391(4) 0.3297(6) 0.0893(3) 0.051(2) Uani 1 1 d .
H21A H -0.4981 0.2973 0.0869 0.061 Uiso 1 1 calc R
C22 C -0.4029(4) 0.3578(6) 0.0536(2) 0.0424(16) Uani 1 1 d .
H22A H -0.4368 0.3450 0.0260 0.051 Uiso 1 1 calc R
C23 C -0.3338(4) 0.3884(6) -0.0335(2) 0.0392(15) Uani 1 1 d .
C24 C -0.3278(5) 0.2793(6) -0.0377(2) 0.0457(17) Uani 1 1 d .
H24A H -0.2863 0.2398 -0.0177 0.055 Uiso 1 1 calc R
C25 C -0.3825(5) 0.2304(7) -0.0708(3) 0.057(2) Uani 1 1 d .
H25A H -0.3773 0.1567 -0.0742 0.068 Uiso 1 1 calc R
C26 C -0.4442(5) 0.2852(8) -0.0988(3) 0.062(2) Uani 1 1 d .
H26A H -0.4840 0.2494 -0.1207 0.074 Uiso 1 1 calc R
C27 C -0.4488(5) 0.3932(8) -0.0955(3) 0.063(2) Uani 1 1 d .
H27A H -0.4892 0.4317 -0.1162 0.075 Uiso 1 1 calc R
C28 C -0.3947(5) 0.4460(7) -0.0621(2) 0.0503(19) Uani 1 1 d .
H28A H -0.3997 0.5198 -0.0591 0.060 Uiso 1 1 calc R
C29 C -0.2879(4) 0.5900(5) 0.0098(2) 0.0352(14) Uani 1 1 d .
C30 C -0.3624(4) 0.6329(6) 0.0257(3) 0.0472(18) Uani 1 1 d .
H30A H -0.4029 0.5900 0.0390 0.057 Uiso 1 1 calc R
C31 C -0.3767(5) 0.7426(7) 0.0218(3) 0.058(2) Uani 1 1 d .
H31A H -0.4273 0.7734 0.0328 0.070 Uiso 1 1 calc R
C32 C -0.3205(6) 0.8039(6) 0.0030(3) 0.066(3) Uani 1 1 d .
H32A H -0.3326 0.8770 0.0000 0.079 Uiso 1 1 calc R
C33 C -0.2446(6) 0.7613(7) -0.0123(3) 0.069(3) Uani 1 1 d .
H33A H -0.2041 0.8053 -0.0252 0.082 Uiso 1 1 calc R
C34 C -0.2282(5) 0.6554(6) -0.0089(3) 0.0519(19) Uani 1 1 d .
H34A H -0.1761 0.6263 -0.0192 0.062 Uiso 1 1 calc R
C35 C -0.0254(4) 0.3350(5) 0.19342(19) 0.0337(14) Uani 1 1 d .
C36 C -0.0631(5) 0.5023(6) 0.2107(2) 0.0483(18) Uani 1 1 d .
H36A H -0.0895 0.5684 0.2020 0.058 Uiso 1 1 calc R
C37 C -0.0285(6) 0.4887(6) 0.2530(2) 0.054(2) Uani 1 1 d .
H37A H -0.0299 0.5444 0.2728 0.065 Uiso 1 1 calc R
C38 C 0.0089(6) 0.3917(7) 0.2664(2) 0.056(2) Uani 1 1 d .
H38A H 0.0332 0.3795 0.2956 0.067 Uiso 1 1 calc R
C39 C 0.0098(5) 0.3128(6) 0.2358(2) 0.0441(17) Uani 1 1 d .
H39A H 0.0340 0.2453 0.2438 0.053 Uiso 1 1 calc R
C40 C 0.0483(4) 0.1302(5) 0.17110(18) 0.0322(13) Uani 1 1 d .
C41 C 0.1339(5) 0.1204(6) 0.1566(2) 0.0405(16) Uani 1 1 d .
H41A H 0.1515 0.1688 0.1364 0.049 Uiso 1 1 calc R
C42 C 0.1932(5) 0.0381(6) 0.1723(2) 0.0473(18) Uani 1 1 d .
H42A H 0.2516 0.0321 0.1629 0.057 Uiso 1 1 calc R
C43 C 0.1696(5) -0.0324(6) 0.2003(3) 0.0504(19) Uani 1 1 d .
H43A H 0.2111 -0.0875 0.2103 0.060 Uiso 1 1 calc R
C44 C 0.0856(6) -0.0250(6) 0.2145(2) 0.0523(19) Uani 1 1 d .
H44A H 0.0692 -0.0746 0.2345 0.063 Uiso 1 1 calc R
C45 C 0.0245(5) 0.0554(5) 0.1995(2) 0.0415(16) Uani 1 1 d .
H45A H -0.0340 0.0592 0.2089 0.050 Uiso 1 1 calc R
C46 C -0.1434(4) 0.1855(5) 0.1414(2) 0.0347(14) Uani 1 1 d .
C47 C -0.1902(5) 0.1610(6) 0.1758(2) 0.0442(17) Uani 1 1 d .
H47A H -0.1631 0.1764 0.2043 0.053 Uiso 1 1 calc R
C48 C -0.2769(5) 0.1139(7) 0.1673(3) 0.063(2) Uani 1 1 d .
H48A H -0.3092 0.0974 0.1903 0.076 Uiso 1 1 calc R
C49 C -0.3161(5) 0.0912(7) 0.1263(3) 0.064(2) Uani 1 1 d .
H49A H -0.3749 0.0581 0.1211 0.076 Uiso 1 1 calc R
C50 C -0.2712(5) 0.1158(6) 0.0926(3) 0.057(2) Uani 1 1 d .
H50A H -0.2994 0.1008 0.0641 0.068 Uiso 1 1 calc R
C51 C -0.1844(5) 0.1628(5) 0.1000(2) 0.0427(16) Uani 1 1 d .
H51A H -0.1532 0.1794 0.0766 0.051 Uiso 1 1 calc R
B1 B -0.5839(9) 0.0779(16) 0.1218(6) 0.110(6) Uani 1 1 d .
F1 F -0.5454(7) 0.0698(10) 0.0856(3) 0.194(5) Uani 1 1 d .
F2 F -0.5296(6) 0.1240(9) 0.1516(3) 0.171(4) Uani 1 1 d .
F3 F -0.6672(6) 0.1268(8) 0.1095(3) 0.160(3) Uani 1 1 d .
F4 F -0.6071(6) -0.0201(6) 0.1359(2) 0.130(3) Uani 1 1 d .
B2 B -0.1356(9) 0.1330(11) 0.3018(4) 0.078(3) Uani 1 1 d .
F5 F -0.1452(8) 0.2355(8) 0.2954(5) 0.236(7) Uani 1 1 d .
F6 F -0.2153(7) 0.0916(9) 0.2801(3) 0.197(5) Uani 1 1 d .
F7 F -0.0622(6) 0.1029(8) 0.2872(3) 0.151(3) Uani 1 1 d .
F8 F -0.1363(4) 0.1107(7) 0.34170(19) 0.121(3) Uani 1 1 d .
C1S C -0.2967(12) 0.6383(14) -0.1592(6) 0.154(6) Uiso 1 1 d .
Cl1 Cl -0.2018(3) 0.6026(3) -0.18694(12) 0.1236(12) Uiso 1 1 d .
Cl2 Cl -0.2659(5) 0.6259(6) -0.1117(2) 0.122(2) Uiso 0.50 1 d P
Cl3 Cl -0.3941(8) 0.5917(9) -0.1699(4) 0.190(4) Uiso 0.50 1 d P
O1S O -0.3711(10) 0.2561(13) 0.2620(5) 0.209(6) Uiso 1 1 d .
C2S C -0.3405(14) 0.3578(18) 0.2515(7) 0.185(8) Uiso 1 1 d .
O2S O -0.4555(12) 0.0310(15) 0.0133(6) 0.265(8) 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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 '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'
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'
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
O1 Au1 P1 176.18(11) . .
O1 Au1 Ag1 86.04(10) . .
P1 Au1 Ag1 90.17(4) . .
O1 Au1 Au2 44.43(10) . .
P1 Au1 Au2 133.31(4) . .
Ag1 Au1 Au2 58.922(12) . .
O1 Au1 Au2 79.80(10) . 3_565
P1 Au1 Au2 103.70(4) . 3_565
Ag1 Au1 Au2 146.195(13) . 3_565
Au2 Au1 Au2 90.378(9) . 3_565
O1 Au1 Au3 41.78(11) . .
P1 Au1 Au3 135.07(4) . .
Ag1 Au1 Au3 57.398(11) . .
Au2 Au1 Au3 58.316(7) . .
Au2 Au1 Au3 120.619(10) 3_565 .
O1 Au2 P2 172.47(11) . .
O1 Au2 Ag1 86.75(10) . .
P2 Au2 Ag1 85.73(4) . .
O1 Au2 Au3 44.11(11) . .
P2 Au2 Au3 130.29(4) . .
Ag1 Au2 Au3 59.090(11) . .
O1 Au2 Au1 43.92(11) . .
P2 Au2 Au1 131.11(5) . .
Ag1 Au2 Au1 60.243(11) . .
Au3 Au2 Au1 62.166(8) . .
O1 Au2 Au1 79.35(10) . 3_565
P2 Au2 Au1 107.29(4) . 3_565
Ag1 Au2 Au1 146.673(14) . 3_565
Au3 Au2 Au1 121.508(10) . 3_565
Au1 Au2 Au1 89.623(9) . 3_565
O1 Au3 P3 174.84(11) . .
O1 Au3 Ag1 88.29(11) . .
P3 Au3 Ag1 87.43(4) . .
O1 Au3 Au2 45.17(10) . .
P3 Au3 Au2 129.81(4) . .
Ag1 Au3 Au2 60.114(12) . .
O1 Au3 Au1 42.27(11) . .
P3 Au3 Au1 136.42(4) . .
Ag1 Au3 Au1 59.646(12) . .
Au2 Au3 Au1 59.517(8) . .
N1 Ag1 N2 107.61(18) . .
N1 Ag1 N3 106.52(18) . .
N2 Ag1 N3 101.08(19) . .
N1 Ag1 Au3 141.93(12) . .
N2 Ag1 Au3 107.30(13) . .
N3 Ag1 Au3 81.03(12) . .
N1 Ag1 Au2 109.88(13) . .
N2 Ag1 Au2 82.29(13) . .
N3 Ag1 Au2 140.46(12) . .
Au3 Ag1 Au2 60.796(11) . .
N1 Ag1 Au1 80.10(12) . .
N2 Ag1 Au1 142.27(13) . .
N3 Ag1 Au1 112.19(13) . .
Au3 Ag1 Au1 62.956(12) . .
Au2 Ag1 Au1 60.835(11) . .
Au3 O1 Au1 95.95(16) . .
Au3 O1 Au2 90.72(14) . .
Au1 O1 Au2 91.64(15) . .
C12 P1 C6 109.1(3) . .
C12 P1 C1 105.4(3) . .
C6 P1 C1 102.8(3) . .
C12 P1 Au1 113.1(2) . .
C6 P1 Au1 113.9(2) . .
C1 P1 Au1 111.7(2) . .
C29 P2 C23 108.2(3) . .
C29 P2 C18 104.1(3) . .
C23 P2 C18 104.2(3) . .
C29 P2 Au2 111.4(2) . .
C23 P2 Au2 116.1(2) . .
C18 P2 Au2 111.8(2) . .
C46 P3 C40 106.5(3) . .
C46 P3 C35 105.4(3) . .
C40 P3 C35 107.8(3) . .
C46 P3 Au3 111.4(2) . .
C40 P3 Au3 115.5(2) . .
C35 P3 Au3 109.5(2) . .
C1 N1 C2 116.7(6) . .
C1 N1 Ag1 130.1(4) . .
C2 N1 Ag1 112.9(4) . .
C19 N2 C18 116.7(6) . .
C19 N2 Ag1 116.9(5) . .
C18 N2 Ag1 126.2(4) . .
C36 N3 C35 117.4(6) . .
C36 N3 Ag1 114.8(4) . .
C35 N3 Ag1 127.4(4) . .
N1 C1 C5 122.3(6) . .
N1 C1 P1 117.8(5) . .
C5 C1 P1 119.8(5) . .
N1 C2 C3 124.1(7) . .
C4 C3 C2 117.7(7) . .
C5 C4 C3 119.4(7) . .
C4 C5 C1 119.7(7) . .
C11 C6 C7 118.2(6) . .
C11 C6 P1 124.8(5) . .
C7 C6 P1 117.0(5) . .
C8 C7 C6 120.5(6) . .
C7 C8 C9 120.6(7) . .
C10 C9 C8 119.8(7) . .
C9 C10 C11 120.6(7) . .
C10 C11 C6 120.2(6) . .
C17 C12 C13 118.9(6) . .
C17 C12 P1 122.0(5) . .
C13 C12 P1 118.9(5) . .
C14 C13 C12 121.0(7) . .
C15 C14 C13 119.6(7) . .
C14 C15 C16 119.9(7) . .
C15 C16 C17 121.4(7) . .
C12 C17 C16 119.1(7) . .
N2 C18 C22 121.9(6) . .
N2 C18 P2 115.1(4) . .
C22 C18 P2 123.0(5) . .
N2 C19 C20 122.9(7) . .
C21 C20 C19 119.7(6) . .
C20 C21 C22 118.9(6) . .
C21 C22 C18 119.9(7) . .
C28 C23 C24 120.6(7) . .
C28 C23 P2 121.2(6) . .
C24 C23 P2 118.1(5) . .
C25 C24 C23 119.2(7) . .
C26 C25 C24 121.2(8) . .
C25 C26 C27 119.9(7) . .
C26 C27 C28 120.6(8) . .
C23 C28 C27 118.4(8) . .
C30 C29 C34 119.7(6) . .
C30 C29 P2 121.8(5) . .
C34 C29 P2 118.5(5) . .
C29 C30 C31 118.2(7) . .
C32 C31 C30 121.5(7) . .
C31 C32 C33 120.4(7) . .
C34 C33 C32 119.8(8) . .
C33 C34 C29 120.5(7) . .
N3 C35 C39 122.8(6) . .
N3 C35 P3 114.8(5) . .
C39 C35 P3 122.4(5) . .
N3 C36 C37 124.2(7) . .
C36 C37 C38 118.7(7) . .
C37 C38 C39 118.3(7) . .
C35 C39 C38 118.7(7) . .
C45 C40 C41 118.3(6) . .
C45 C40 P3 123.6(5) . .
C41 C40 P3 118.1(5) . .
C42 C41 C40 119.0(7) . .
C43 C42 C41 121.8(7) . .
C42 C43 C44 120.1(7) . .
C43 C44 C45 119.9(7) . .
C40 C45 C44 120.8(7) . .
C51 C46 C47 119.5(6) . .
C51 C46 P3 119.1(5) . .
C47 C46 P3 121.2(5) . .
C48 C47 C46 119.0(7) . .
C49 C48 C47 120.8(8) . .
C48 C49 C50 120.5(7) . .
C49 C50 C51 120.0(8) . .
C46 C51 C50 120.1(7) . .
F2 B1 F1 111.5(12) . .
F2 B1 F3 115.1(18) . .
F1 B1 F3 105.2(13) . .
F2 B1 F4 109.4(13) . .
F1 B1 F4 111.0(17) . .
F3 B1 F4 104.4(10) . .
F7 B2 F8 114.4(11) . .
F7 B2 F5 108.2(11) . .
F8 B2 F5 110.4(13) . .
F7 B2 F6 113.6(12) . .
F8 B2 F6 105.8(11) . .
F5 B2 F6 104.0(12) . .
Cl2 C1S Cl3 107.8(13) . .
Cl2 C1S Cl1 108.8(11) . .
Cl3 C1S Cl1 123.5(12) . .
C1S Cl2 Cl3 36.5(7) . .
C1S Cl3 Cl2 35.8(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 O1 2.072(4) .
Au1 P1 2.2284(17) .
Au1 Ag1 2.9690(5) .
Au1 Au2 2.9864(3) .
Au1 Au2 3.0539(3) 3_565
Au1 Au3 3.0644(4) .
Au2 O1 2.092(4) .
Au2 P2 2.2321(15) .
Au2 Ag1 2.9291(5) .
Au2 Au3 2.9489(3) .
Au2 Au1 3.0539(3) 3_565
Au3 O1 2.053(4) .
Au3 P3 2.2272(15) .
Au3 Ag1 2.8985(5) .
Ag1 N1 2.334(5) .
Ag1 N2 2.367(5) .
Ag1 N3 2.379(5) .
P1 C12 1.806(6) .
P1 C6 1.811(6) .
P1 C1 1.836(6) .
P2 C29 1.814(7) .
P2 C23 1.815(7) .
P2 C18 1.815(6) .
P3 C46 1.813(6) .
P3 C40 1.813(6) .
P3 C35 1.839(6) .
N1 C1 1.345(8) .
N1 C2 1.347(8) .
N2 C19 1.350(8) .
N2 C18 1.363(8) .
N3 C36 1.336(8) .
N3 C35 1.342(8) .
C1 C5 1.384(9) .
C2 C3 1.384(10) .
C3 C4 1.374(10) .
C4 C5 1.366(10) .
C6 C11 1.397(9) .
C6 C7 1.405(9) .
C7 C8 1.374(9) .
C8 C9 1.382(10) .
C9 C10 1.366(11) .
C10 C11 1.392(10) .
C12 C17 1.381(10) .
C12 C13 1.401(10) .
C13 C14 1.380(10) .
C14 C15 1.359(11) .
C15 C16 1.381(11) .
C16 C17 1.381(10) .
C18 C22 1.397(8) .
C19 C20 1.392(10) .
C20 C21 1.357(11) .
C21 C22 1.366(10) .
C23 C28 1.381(9) .
C23 C24 1.401(10) .
C24 C25 1.367(10) .
C25 C26 1.358(12) .
C26 C27 1.383(12) .
C27 C28 1.392(10) .
C29 C30 1.382(9) .
C29 C34 1.400(9) .
C30 C31 1.417(11) .
C31 C32 1.338(11) .
C32 C33 1.388(11) .
C33 C34 1.372(11) .
C35 C39 1.390(9) .
C36 C37 1.365(10) .
C37 C38 1.392(11) .
C38 C39 1.396(10) .
C40 C45 1.390(9) .
C40 C41 1.404(9) .
C41 C42 1.403(10) .
C42 C43 1.342(11) .
C43 C44 1.375(11) .
C44 C45 1.394(10) .
C46 C51 1.385(9) .
C46 C47 1.404(9) .
C47 C48 1.393(10) .
C48 C49 1.365(12) .
C49 C50 1.371(12) .
C50 C51 1.392(10) .
B1 F2 1.278(19) .
B1 F1 1.353(18) .
B1 F3 1.372(16) .
B1 F4 1.387(17) .
B2 F7 1.291(14) .
B2 F8 1.295(12) .
B2 F5 1.326(16) .
B2 F6 1.364(15) .
C1S Cl2 1.508(18) .
C1S Cl3 1.534(18) .
C1S Cl1 1.809(18) .
Cl2 Cl3 2.457(14) .
O1S C2S 1.43(2) .
O2S O2S 1.64(3) 3_455
