#------------------------------------------------------------------------------
#$Date: 2016-12-06 15:57:58 +0100 (mar 06 de dic de 2016) $
#$Revision: 188980 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/53/4105366.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_4105366
loop_
_publ_author_name
'Jian-Hua Jia'
'Quan-Ming Wang'
_publ_section_title
;
 Intensely Luminescent Gold(I)-Silver(I) Cluster with Hypercoordinated
 Carbon
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16634
_journal_page_last               16635
_journal_paper_doi               10.1021/ja906695h
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C107 H94 Ag2 Au6 B4 Cl8 F16 N6 O P6'
_chemical_formula_weight         3694.08
_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                 114.276(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.5515(8)
_cell_length_b                   27.1485(9)
_cell_length_c                   16.1075(7)
_cell_measurement_temperature    223(2)
_cell_volume                     6199.2(5)
_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_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0667
_diffrn_reflns_av_sigmaI/netI    0.1564
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -37
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            43631
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         30.91
_diffrn_reflns_theta_min         2.14
_exptl_absorpt_coefficient_mu    7.701
_exptl_absorpt_correction_T_max  0.6551
_exptl_absorpt_correction_T_min  0.2217
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET)
(compiled Apr 27 2007,17:53:11)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow-green
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_description       block-like
_exptl_crystal_F_000             3488
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.318
_refine_diff_density_min         -1.586
_refine_diff_density_rms         0.202
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.901
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     686
_refine_ls_number_reflns         17094
_refine_ls_number_restraints     42
_refine_ls_restrained_S_all      0.905
_refine_ls_R_factor_all          0.1156
_refine_ls_R_factor_gt           0.0510
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0453P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1066
_refine_ls_wR_factor_ref         0.1148
_reflns_number_gt                8791
_reflns_number_total             17094
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja906695h_si_002_2.cif
_cod_data_source_block           3
_cod_database_code               4105366
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
_atom_site_attached_hydrogens
Au1 Au -0.13670(2) 0.502480(13) -0.00276(2) 0.02606(9) Uani 1 1 d . 0
Au2 Au 0.05412(2) 0.520893(13) 0.13748(2) 0.02599(9) Uani 1 1 d . 0
Au3 Au 0.00760(2) 0.424672(13) 0.03569(3) 0.02749(10) Uani 1 1 d . 0
Ag1 Ag -0.06696(5) 0.44867(3) 0.17029(5) 0.03098(17) Uani 1 1 d . 0
C1 C 0.0000 0.5000 0.0000 0.023(3) Uani 1 2 d S 0
P1 P -0.27950(16) 0.50191(10) 0.00339(17) 0.0302(6) Uani 1 1 d . 0
P2 P 0.10588(17) 0.53821(9) 0.28679(17) 0.0316(6) Uani 1 1 d . 0
P3 P 0.00179(18) 0.34398(9) 0.06903(18) 0.0324(6) Uani 1 1 d . 0
N1 N -0.1956(5) 0.4877(3) 0.1838(5) 0.0322(19) Uani 1 1 d . 0
N2 N 0.0657(5) 0.4446(3) 0.3097(5) 0.0343(19) Uani 1 1 d . 0
N3 N -0.1250(5) 0.3677(3) 0.1349(6) 0.037(2) Uani 1 1 d . 0
C111 C -0.2687(7) 0.5123(4) 0.1177(7) 0.038(3) Uani 1 1 d . 0
C112 C -0.3319(7) 0.5399(4) 0.1370(7) 0.040(3) Uani 1 1 d . 0
H11A H -0.3795 0.5576 0.0905 0.048 Uiso 1 1 calc R 0
C113 C -0.3254(8) 0.5415(4) 0.2244(9) 0.055(3) Uani 1 1 d . 0
H11B H -0.3703 0.5593 0.2374 0.066 Uiso 1 1 calc R 0
C114 C -0.2541(8) 0.5174(4) 0.2930(8) 0.053(3) Uani 1 1 d . 0
H11C H -0.2474 0.5190 0.3537 0.064 Uiso 1 1 calc R 0
C115 C -0.1906(7) 0.4900(4) 0.2683(8) 0.048(3) Uani 1 1 d . 0
H11D H -0.1422 0.4724 0.3141 0.058 Uiso 1 1 calc R 0
C121 C -0.3596(6) 0.5482(4) -0.0655(7) 0.035(2) Uani 1 1 d . 0
C122 C -0.4505(7) 0.5372(4) -0.1272(7) 0.047(3) Uani 1 1 d . 0
H12A H -0.4729 0.5047 -0.1323 0.056 Uiso 1 1 calc R 0
C123 C -0.5092(8) 0.5742(5) -0.1817(8) 0.057(3) Uani 1 1 d . 0
H12B H -0.5706 0.5666 -0.2241 0.068 Uiso 1 1 calc R 0
C124 C -0.4769(10) 0.6209(5) -0.1729(10) 0.068(4) Uani 1 1 d . 0
H12C H -0.5173 0.6459 -0.2081 0.082 Uiso 1 1 calc R 0
C125 C -0.3846(10) 0.6331(5) -0.1124(10) 0.069(4) Uani 1 1 d . 0
H12D H -0.3621 0.6655 -0.1089 0.083 Uiso 1 1 calc R 0
C126 C -0.3279(8) 0.5967(5) -0.0587(9) 0.060(3) Uani 1 1 d . 0
H12E H -0.2666 0.6045 -0.0165 0.072 Uiso 1 1 calc R 0
C131 C -0.3398(6) 0.4444(3) -0.0311(7) 0.032(2) Uani 1 1 d . 0
C132 C -0.4020(7) 0.4264(4) 0.0056(8) 0.048(3) Uani 1 1 d . 0
H13A H -0.4111 0.4439 0.0517 0.058 Uiso 1 1 calc R 0
C133 C -0.4494(8) 0.3826(4) -0.0275(9) 0.057(3) Uani 1 1 d . 0
H13B H -0.4894 0.3697 -0.0022 0.068 Uiso 1 1 calc R 0
C134 C -0.4391(9) 0.3585(4) -0.0947(9) 0.063(4) Uani 1 1 d . 0
H13C H -0.4770 0.3308 -0.1198 0.075 Uiso 1 1 calc R 0
C135 C -0.3756(11) 0.3725(5) -0.1288(10) 0.080(5) Uani 1 1 d . 0
H13D H -0.3655 0.3532 -0.1725 0.096 Uiso 1 1 calc R 0
C136 C -0.3264(8) 0.4163(4) -0.0969(8) 0.055(3) Uani 1 1 d . 0
H13E H -0.2833 0.4271 -0.1203 0.066 Uiso 1 1 calc R 0
C211 C 0.1334(6) 0.4798(4) 0.3489(7) 0.033(2) Uani 1 1 d . 0
C212 C 0.2130(7) 0.4721(4) 0.4259(7) 0.040(3) Uani 1 1 d . 0
H21A H 0.2565 0.4978 0.4515 0.048 Uiso 1 1 calc R 0
C213 C 0.2287(8) 0.4271(4) 0.4651(7) 0.051(3) Uani 1 1 d . 0
H21B H 0.2834 0.4209 0.5180 0.061 Uiso 1 1 calc R 0
C214 C 0.1639(8) 0.3907(4) 0.4265(8) 0.052(3) Uani 1 1 d . 0
H21C H 0.1752 0.3589 0.4517 0.062 Uiso 1 1 calc R 0
C215 C 0.0826(7) 0.4002(4) 0.3515(7) 0.044(3) Uani 1 1 d . 0
H21D H 0.0372 0.3751 0.3284 0.053 Uiso 1 1 calc R 0
C221 C 0.2105(7) 0.5762(4) 0.3289(7) 0.039(2) Uani 1 1 d . 0
C222 C 0.2189(8) 0.6173(4) 0.3794(8) 0.052(3) Uani 1 1 d . 0
H22A H 0.1712 0.6246 0.3990 0.062 Uiso 1 1 calc R 0
C223 C 0.2941(9) 0.6482(5) 0.4028(10) 0.073(4) Uani 1 1 d . 0
H22B H 0.2959 0.6776 0.4343 0.087 Uiso 1 1 calc R 0
C224 C 0.3657(9) 0.6364(5) 0.3807(9) 0.066(4) Uani 1 1 d . 0
H22C H 0.4179 0.6576 0.3973 0.079 Uiso 1 1 calc R 0
C225 C 0.3639(7) 0.5925(5) 0.3327(9) 0.058(3) Uani 1 1 d . 0
H22D H 0.4149 0.5839 0.3186 0.069 Uiso 1 1 calc R 0
C226 C 0.2841(7) 0.5623(4) 0.3065(8) 0.048(3) Uani 1 1 d . 0
H22E H 0.2805 0.5329 0.2743 0.058 Uiso 1 1 calc R 0
C231 C 0.0192(7) 0.5675(4) 0.3186(7) 0.038(3) Uani 1 1 d . 0
C232 C 0.0251(9) 0.5656(5) 0.4053(9) 0.064(4) Uani 1 1 d . 0
H23A H 0.0734 0.5473 0.4499 0.077 Uiso 1 1 calc R 0
C233 C -0.0393(11) 0.5904(6) 0.4273(12) 0.091(5) Uani 1 1 d . 0
H23B H -0.0340 0.5899 0.4876 0.109 Uiso 1 1 calc R 0
C234 C -0.1087(11) 0.6150(6) 0.3645(13) 0.084(5) Uani 1 1 d . 0
H23C H -0.1528 0.6312 0.3809 0.101 Uiso 1 1 calc R 0
C235 C -0.1187(9) 0.6178(5) 0.2762(12) 0.074(4) Uani 1 1 d . 0
H23D H -0.1694 0.6349 0.2319 0.089 Uiso 1 1 calc R 0
C236 C -0.0515(8) 0.5944(4) 0.2546(9) 0.055(3) Uani 1 1 d . 0
H23E H -0.0545 0.5970 0.1953 0.066 Uiso 1 1 calc R 0
C311 C -0.1046(6) 0.3330(3) 0.0892(7) 0.032(2) Uani 1 1 d . 0
C312 C -0.1520(7) 0.2890(4) 0.0647(8) 0.048(3) Uani 1 1 d . 0
H31A H -0.1328 0.2645 0.0346 0.058 Uiso 1 1 calc R 0
C313 C -0.2284(8) 0.2818(4) 0.0856(9) 0.063(4) Uani 1 1 d . 0
H31B H -0.2641 0.2527 0.0683 0.075 Uiso 1 1 calc R 0
C314 C -0.2509(8) 0.3176(4) 0.1315(9) 0.058(3) Uani 1 1 d . 0
H31C H -0.3022 0.3131 0.1472 0.070 Uiso 1 1 calc R 0
C315 C -0.2000(7) 0.3604(4) 0.1553(8) 0.050(3) Uani 1 1 d . 0
H31D H -0.2176 0.3850 0.1863 0.060 Uiso 1 1 calc R 0
C321 C -0.0075(8) 0.3036(4) -0.0211(8) 0.047(3) Uani 1 1 d . 0
C322 C 0.0398(13) 0.2618(5) -0.0119(10) 0.125(7) Uani 1 1 d U 0
H32A H 0.0843 0.2528 0.0463 0.150 Uiso 1 1 calc R 0
C323 C 0.0266(15) 0.2316(7) -0.0827(12) 0.161(9) Uani 1 1 d U 0
H32B H 0.0495 0.1991 -0.0723 0.193 Uiso 1 1 calc R 0
C324 C -0.0206(13) 0.2487(6) -0.1702(11) 0.111(6) Uani 1 1 d U 0
H32C H -0.0185 0.2317 -0.2201 0.133 Uiso 1 1 calc R 0
C325 C -0.0684(11) 0.2894(5) -0.1813(10) 0.082(4) Uani 1 1 d U 0
H32D H -0.1089 0.2989 -0.2407 0.099 Uiso 1 1 calc R 0
C326 C -0.0623(8) 0.3191(4) -0.1096(8) 0.056(3) Uani 1 1 d U 0
H32E H -0.0946 0.3493 -0.1204 0.067 Uiso 1 1 calc R 0
C331 C 0.0988(7) 0.3228(3) 0.1708(7) 0.034(2) Uani 1 1 d . 0
C332 C 0.0887(8) 0.2842(4) 0.2198(8) 0.055(3) Uani 1 1 d . 0
H33A H 0.0307 0.2676 0.2013 0.066 Uiso 1 1 calc R 0
C333 C 0.1667(10) 0.2695(5) 0.2989(9) 0.071(4) Uani 1 1 d . 0
H33B H 0.1609 0.2428 0.3334 0.085 Uiso 1 1 calc R 0
C334 C 0.2492(10) 0.2934(5) 0.3253(10) 0.074(4) Uani 1 1 d . 0
H33C H 0.2997 0.2846 0.3802 0.089 Uiso 1 1 calc R 0
C335 C 0.2606(9) 0.3301(5) 0.2739(10) 0.075(4) Uani 1 1 d . 0
H33D H 0.3201 0.3446 0.2898 0.090 Uiso 1 1 calc R 0
C336 C 0.1842(7) 0.3460(4) 0.1979(8) 0.052(3) Uani 1 1 d . 0
H33E H 0.1908 0.3730 0.1644 0.063 Uiso 1 1 calc R 0
B1 B -0.2350(11) 0.3829(5) 0.3794(9) 0.085(6) Uani 1 1 d D 0
F1 F -0.2951(6) 0.3785(4) 0.2934(7) 0.140(4) Uani 1 1 d D 0
F2 F -0.2268(9) 0.3428(4) 0.4311(8) 0.154(5) Uani 1 1 d D 0
F3 F -0.1507(8) 0.3863(4) 0.3742(8) 0.132(4) Uani 1 1 d D 0
F4 F -0.2493(8) 0.4241(3) 0.4178(7) 0.131(4) Uani 1 1 d D 0
B2 B 0.3909(8) 0.3404(4) -0.3545(9) 0.057(4) Uani 1 1 d D 0
F5 F 0.3077(8) 0.3334(4) -0.3590(14) 0.234(10) Uani 1 1 d D 0
F6 F 0.3843(12) 0.3263(4) -0.4360(8) 0.200(7) Uani 1 1 d D 0
F7 F 0.4499(6) 0.3081(3) -0.3019(7) 0.130(4) Uani 1 1 d D 0
F8 F 0.4158(5) 0.3866(2) -0.3369(6) 0.078(2) Uani 1 1 d D 0
C1S C 0.5528(10) 0.4437(5) 0.4239(12) 0.099(5) Uiso 1 1 d D 2
Cl1 Cl 0.5563(3) 0.50358(15) 0.3854(3) 0.0939(12) Uiso 1 1 d D 0
Cl2 Cl 0.4341(5) 0.4274(2) 0.3918(5) 0.170(2) Uiso 1 1 d D 0
C2S C 0.0473(19) 0.7214(13) -0.4918(17) 0.129(14) Uiso 0.50 1 d PD 2
Cl3 Cl -0.0124(8) 0.7483(5) -0.5965(9) 0.151(4) Uiso 0.50 1 d PD 0
Cl4 Cl -0.0149(5) 0.7212(3) -0.4294(6) 0.085(2) Uiso 0.50 1 d PD 0
C3S C 0.1730(11) 0.7989(7) -0.4067(12) 0.033(5) Uiso 0.50 1 d PD 2
Cl5 Cl 0.2731(15) 0.7856(8) -0.4315(16) 0.321(11) Uiso 0.50 1 d PD 0
Cl6 Cl 0.2089(15) 0.7756(8) -0.3042(14) 0.315(11) Uiso 0.50 1 d PD 0
O1W O -0.1395(12) 0.7422(7) -0.7343(14) 0.083(6) Uiso 0.50 1 d P 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_site_symmetry_3
C1 Au1 P1 175.95(7) . .
C1 Au1 Ag1 89.335(18) . .
P1 Au1 Ag1 86.62(7) . .
C1 Au1 Au2 45.502(10) . .
P1 Au1 Au2 131.76(7) . .
Ag1 Au1 Au2 59.489(17) . .
C1 Au1 Au3 45.653(10) . .
P1 Au1 Au3 131.29(7) . .
Ag1 Au1 Au3 59.502(17) . .
Au2 Au1 Au3 61.389(12) . .
C1 Au1 Au2 44.197(10) . 3_565
P1 Au1 Au2 138.38(7) . 3_565
Ag1 Au1 Au2 118.68(2) . 3_565
Au2 Au1 Au2 89.699(14) . 3_565
Au3 Au1 Au2 59.206(12) . 3_565
C1 Au1 Au3 44.493(10) . 3_565
P1 Au1 Au3 138.43(7) . 3_565
Ag1 Au1 Au3 118.76(2) . 3_565
Au2 Au1 Au3 59.283(12) . 3_565
Au3 Au1 Au3 90.146(13) . 3_565
Au2 Au1 Au3 59.944(12) 3_565 3_565
C1 Au2 P2 175.45(7) . .
C1 Au2 Ag1 90.044(19) . .
P2 Au2 Ag1 85.45(7) . .
C1 Au2 Au1 45.810(10) . .
P2 Au2 Au1 131.39(7) . .
Ag1 Au2 Au1 60.102(17) . .
C1 Au2 Au3 45.835(10) . 3_565
P2 Au2 Au3 137.83(7) . 3_565
Ag1 Au2 Au3 121.73(2) . 3_565
Au1 Au2 Au3 61.641(13) . 3_565
C1 Au2 Au1 44.491(10) . 3_565
P2 Au2 Au1 138.07(7) . 3_565
Ag1 Au2 Au1 119.22(2) . 3_565
Au1 Au2 Au1 90.301(14) . 3_565
Au3 Au2 Au1 59.508(12) 3_565 3_565
C1 Au2 Au3 44.612(10) . .
P2 Au2 Au3 131.60(7) . .
Ag1 Au2 Au3 59.083(18) . .
Au1 Au2 Au3 59.560(12) . .
Au3 Au2 Au3 90.447(14) 3_565 .
Au1 Au2 Au3 60.156(12) 3_565 .
C1 Au3 P3 174.99(7) . .
C1 Au3 Ag1 89.496(19) . .
P3 Au3 Ag1 88.45(7) . .
C1 Au3 Au2 45.379(10) . 3_565
P3 Au3 Au2 132.83(7) . 3_565
Ag1 Au3 Au2 121.09(2) . 3_565
C1 Au3 Au1 45.504(10) . .
P3 Au3 Au1 129.76(7) . .
Ag1 Au3 Au1 59.831(18) . .
Au2 Au3 Au1 61.285(12) 3_565 .
C1 Au3 Au2 44.174(10) . .
P3 Au3 Au2 137.22(7) . .
Ag1 Au3 Au2 58.810(17) . .
Au2 Au3 Au2 89.553(14) 3_565 .
Au1 Au3 Au2 59.051(12) . .
C1 Au3 Au1 44.350(10) . 3_565
P3 Au3 Au1 140.33(7) . 3_565
Ag1 Au3 Au1 118.70(2) . 3_565
Au2 Au3 Au1 59.076(12) 3_565 3_565
Au1 Au3 Au1 89.854(13) . 3_565
Au2 Au3 Au1 59.900(12) . 3_565
N2 Ag1 N1 112.3(3) . .
N2 Ag1 N3 106.6(3) . .
N1 Ag1 N3 100.8(3) . .
N2 Ag1 Au2 79.97(18) . .
N1 Ag1 Au2 110.57(19) . .
N3 Ag1 Au2 142.8(2) . .
N2 Ag1 Au3 103.80(19) . .
N1 Ag1 Au3 141.4(2) . .
N3 Ag1 Au3 80.9(2) . .
Au2 Ag1 Au3 62.108(18) . .
N2 Ag1 Au1 140.34(19) . .
N1 Ag1 Au1 82.4(2) . .
N3 Ag1 Au1 106.2(2) . .
Au2 Ag1 Au1 60.409(18) . .
Au3 Ag1 Au1 60.666(18) . .
Au2 C1 Au2 180.000(19) 3_565 .
Au2 C1 Au1 91.312(15) 3_565 .
Au2 C1 Au1 88.688(15) . .
Au2 C1 Au1 88.688(15) 3_565 3_565
Au2 C1 Au1 91.312(15) . 3_565
Au1 C1 Au1 180.00(2) . 3_565
Au2 C1 Au3 91.214(14) 3_565 3_565
Au2 C1 Au3 88.786(14) . 3_565
Au1 C1 Au3 91.157(14) . 3_565
Au1 C1 Au3 88.843(14) 3_565 3_565
Au2 C1 Au3 88.786(14) 3_565 .
Au2 C1 Au3 91.214(14) . .
Au1 C1 Au3 88.843(14) . .
Au1 C1 Au3 91.157(14) 3_565 .
Au3 C1 Au3 180.000(5) 3_565 .
C131 P1 C121 106.1(4) . .
C131 P1 C111 105.7(5) . .
C121 P1 C111 105.8(5) . .
C131 P1 Au1 113.0(3) . .
C121 P1 Au1 114.3(3) . .
C111 P1 Au1 111.3(3) . .
C221 P2 C231 107.6(5) . .
C221 P2 C211 108.5(5) . .
C231 P2 C211 105.1(5) . .
C221 P2 Au2 113.1(3) . .
C231 P2 Au2 114.4(3) . .
C211 P2 Au2 107.7(4) . .
C321 P3 C331 107.6(5) . .
C321 P3 C311 105.5(5) . .
C331 P3 C311 105.4(5) . .
C321 P3 Au3 113.6(4) . .
C331 P3 Au3 115.0(3) . .
C311 P3 Au3 109.0(3) . .
C115 N1 C111 117.0(8) . .
C115 N1 Ag1 114.9(7) . .
C111 N1 Ag1 127.8(6) . .
C215 N2 C211 116.0(9) . .
C215 N2 Ag1 115.7(7) . .
C211 N2 Ag1 127.9(6) . .
C311 N3 C315 117.6(9) . .
C311 N3 Ag1 130.4(6) . .
C315 N3 Ag1 111.2(7) . .
N1 C111 C112 122.3(9) . .
N1 C111 P1 114.7(7) . .
C112 C111 P1 122.9(8) . .
C111 C112 C113 119.6(11) . .
C114 C113 C112 120.5(10) . .
C113 C114 C115 116.8(11) . .
N1 C115 C114 123.7(11) . .
C122 C121 C126 118.9(10) . .
C122 C121 P1 122.5(8) . .
C126 C121 P1 118.6(8) . .
C121 C122 C123 120.5(11) . .
C124 C123 C122 119.3(12) . .
C123 C124 C125 121.6(12) . .
C126 C125 C124 118.5(12) . .
C125 C126 C121 121.1(12) . .
C136 C131 C132 118.3(10) . .
C136 C131 P1 119.5(8) . .
C132 C131 P1 122.2(8) . .
C133 C132 C131 118.8(11) . .
C134 C133 C132 120.8(11) . .
C133 C134 C135 122.7(12) . .
C134 C135 C136 117.8(12) . .
C131 C136 C135 121.2(11) . .
C212 C211 N2 123.5(9) . .
C212 C211 P2 123.5(8) . .
N2 C211 P2 113.0(7) . .
C213 C212 C211 119.1(10) . .
C212 C213 C214 118.9(10) . .
C213 C214 C215 120.6(11) . .
N2 C215 C214 121.8(10) . .
C222 C221 C226 119.7(10) . .
C222 C221 P2 123.0(9) . .
C226 C221 P2 117.3(8) . .
C221 C222 C223 122.2(12) . .
C224 C223 C222 119.5(12) . .
C223 C224 C225 121.1(11) . .
C226 C225 C224 118.3(10) . .
C221 C226 C225 119.1(10) . .
C232 C231 C236 119.1(11) . .
C232 C231 P2 121.9(9) . .
C236 C231 P2 118.8(9) . .
C231 C232 C233 119.9(13) . .
C234 C233 C232 120.4(15) . .
C233 C234 C235 122.2(14) . .
C234 C235 C236 117.5(14) . .
C231 C236 C235 120.8(13) . .
N3 C311 C312 124.1(9) . .
N3 C311 P3 115.2(7) . .
C312 C311 P3 120.4(8) . .
C311 C312 C313 117.9(10) . .
C314 C313 C312 118.4(11) . .
C313 C314 C315 120.9(11) . .
N3 C315 C314 121.0(11) . .
C322 C321 C326 116.9(11) . .
C322 C321 P3 125.5(10) . .
C326 C321 P3 117.4(8) . .
C321 C322 C323 122.6(14) . .
C322 C323 C324 119.5(16) . .
C325 C324 C323 117.5(14) . .
C324 C325 C326 122.8(14) . .
C325 C326 C321 118.9(11) . .
C332 C331 C336 119.9(10) . .
C332 C331 P3 121.3(8) . .
C336 C331 P3 118.9(8) . .
C331 C332 C333 118.8(11) . .
C334 C333 C332 120.4(13) . .
C333 C334 C335 120.7(13) . .
C334 C335 C336 119.6(12) . .
C331 C336 C335 120.5(11) . .
F1 B1 F4 112.4(12) . .
F1 B1 F2 115.0(14) . .
F4 B1 F2 112.4(11) . .
F1 B1 F3 103.1(11) . .
F4 B1 F3 108.8(13) . .
F2 B1 F3 104.2(12) . .
F5 B2 F7 111.3(12) . .
F5 B2 F8 111.0(10) . .
F7 B2 F8 116.0(10) . .
F5 B2 F6 103.5(14) . .
F7 B2 F6 101.3(11) . .
F8 B2 F6 112.6(11) . .
Cl1 C1S Cl2 108.2(9) . .
Cl4 C2S Cl3 112.5(15) . .
Cl6 C3S Cl5 100.4(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.1090(3) .
Au1 P1 2.263(2) .
Au1 Ag1 2.9316(8) .
Au1 Au2 2.9406(5) .
Au1 Au3 2.9561(5) .
Au1 Au2 3.0087(5) 3_565
Au1 Au3 3.0164(5) 3_565
Au2 C1 2.0980(4) .
Au2 P2 2.250(2) .
Au2 Ag1 2.9134(8) .
Au2 Au3 2.9469(5) 3_565
Au2 Au1 3.0087(5) 3_565
Au2 Au3 3.0100(5) .
Au3 C1 2.1144(4) .
Au3 P3 2.266(2) .
Au3 Ag1 2.9218(8) .
Au3 Au2 2.9469(5) 3_565
Au3 Au1 3.0164(5) 3_565
Ag1 N2 2.345(8) .
Ag1 N1 2.352(7) .
Ag1 N3 2.356(8) .
C1 Au2 2.0980(4) 3_565
C1 Au1 2.1090(3) 3_565
C1 Au3 2.1144(4) 3_565
P1 C131 1.788(9) .
P1 C121 1.796(10) .
P1 C111 1.801(10) .
P2 C221 1.807(10) .
P2 C231 1.811(10) .
P2 C211 1.829(10) .
P3 C321 1.778(11) .
P3 C331 1.805(10) .
P3 C311 1.837(9) .
N1 C115 1.331(13) .
N1 C111 1.369(12) .
N2 C215 1.353(12) .
N2 C211 1.369(12) .
N3 C311 1.313(12) .
N3 C315 1.350(12) .
C111 C112 1.370(13) .
C112 C113 1.371(15) .
C113 C114 1.367(16) .
C114 C115 1.419(15) .
C121 C122 1.386(13) .
C121 C126 1.393(14) .
C122 C123 1.397(14) .
C123 C124 1.350(16) .
C124 C125 1.404(18) .
C125 C126 1.369(16) .
C131 C136 1.388(14) .
C131 C132 1.412(13) .
C132 C133 1.386(14) .
C133 C134 1.329(17) .
C134 C135 1.366(17) .
C135 C136 1.394(15) .
C211 C212 1.361(13) .
C212 C213 1.351(14) .
C213 C214 1.364(15) .
C214 C215 1.366(14) .
C221 C222 1.353(14) .
C221 C226 1.386(14) .
C222 C223 1.361(15) .
C223 C224 1.339(16) .
C224 C225 1.413(17) .
C225 C226 1.400(14) .
C231 C232 1.362(15) .
C231 C236 1.368(14) .
C232 C233 1.369(16) .
C233 C234 1.32(2) .
C234 C235 1.37(2) .
C235 C236 1.384(16) .
C311 C312 1.374(13) .
C312 C313 1.376(15) .
C313 C314 1.352(16) .
C314 C315 1.368(14) .
C321 C322 1.328(15) .
C321 C326 1.392(15) .
C322 C323 1.35(2) .
C323 C324 1.38(2) .
C324 C325 1.302(18) .
C325 C326 1.379(17) .
C331 C332 1.361(14) .
C331 C336 1.369(13) .
C332 C333 1.408(16) .
C333 C334 1.342(17) .
C334 C335 1.352(17) .
C335 C336 1.379(15) .
B1 F1 1.320(12) .
B1 F4 1.340(11) .
B1 F2 1.346(11) .
B1 F3 1.352(12) .
B2 F5 1.280(11) .
B2 F7 1.299(10) .
B2 F8 1.309(10) .
B2 F6 1.330(12) .
C1S Cl1 1.748(13) .
C1S Cl2 1.758(12) .
C2S Cl4 1.656(18) .
C2S Cl3 1.718(18) .
C3S Cl6 1.637(17) .
C3S Cl5 1.795(16) .
