#------------------------------------------------------------------------------
#$Date: 2019-11-25 05:35:54 +0200 (Mon, 25 Nov 2019) $
#$Revision: 240108 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/93/4129393.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_4129393
loop_
_publ_author_name
'Pei, Xiao-Li'
'Yang, Yang'
'Lei, Zhen'
'Chang, Shan-Shan'
'Guan, Zong-Jie'
'Wan, Xian-Kai'
'Wen, Ting-Bin'
'Wang, Quan-Ming'
_publ_section_title
;
 Highly Active Gold(I)-Silver(I) Oxo Cluster Activating sp³ C-H
 Bonds of Methyl Ketones under Mild Conditions.
;
_journal_issue                   16
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5520
_journal_page_last               5525
_journal_paper_doi               10.1021/jacs.5b01713
_journal_volume                  137
_journal_year                    2015
_chemical_formula_sum            'C49 H41 Ag Au3 B2 Cl2 F8 N6 O P3'
_chemical_formula_weight         1766.08
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_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                102.086(4)
_cell_angle_beta                 105.557(5)
_cell_angle_gamma                114.653(6)
_cell_formula_units_Z            2
_cell_length_a                   13.9897(9)
_cell_length_b                   14.7664(8)
_cell_length_c                   15.7371(8)
_cell_measurement_reflns_used    7422
_cell_measurement_temperature    173.0
_cell_measurement_theta_max      30.5440
_cell_measurement_theta_min      2.7417
_cell_volume                     2647.8(3)
_computing_cell_refinement       'Bruker FRAMBO'
_computing_data_collection       'Bruker FRAMBO'
_computing_data_reduction        'Bruker SAINT'
_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      173.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.883
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0767
_diffrn_reflns_av_sigmaI/netI    0.1066
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            28757
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         30.61
_diffrn_reflns_theta_min         2.75
_exptl_absorpt_coefficient_mu    8.914
_exptl_absorpt_correction_T_max  0.2968
_exptl_absorpt_correction_T_min  0.2052
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.44 (release 25-10-2010 CrysAlis171 .NET)
(compiled Oct 25 2010,18:11:34)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            pale-yellow
_exptl_crystal_density_diffrn    2.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1660
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.540
_refine_diff_density_min         -2.774
_refine_diff_density_rms         0.295
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     661
_refine_ls_number_reflns         14392
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0948
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0298P)²+14.4482P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1169
_reflns_number_gt                10785
_reflns_number_total             14392
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja5b01713_si_002.cif
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Triclinic' was changed to
'triclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4129393
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
N116 N 0.9412(9) 0.7539(7) 0.0632(6) 0.038(2) Uani 1 1 d .
Ag1 Ag 0.75729(6) 0.43899(5) 0.25928(5) 0.02048(15) Uani 1 1 d .
Au1 Au 0.98555(3) 0.60880(3) 0.30089(2) 0.01789(8) Uani 1 1 d .
Au2 Au 0.94924(3) 0.41007(3) 0.34180(2) 0.01859(8) Uani 1 1 d .
Au3 Au 0.92109(3) 0.57408(3) 0.46188(2) 0.01795(8) Uani 1 1 d .
B1 B 0.3943(13) 0.7979(10) 0.3484(9) 0.039(3) Uani 1 1 d .
B2 B 0.6875(12) 0.8346(9) 0.9556(9) 0.036(3) Uani 1 1 d .
C1 C 0.2407(11) 0.9806(10) 0.4623(9) 0.047(3) Uiso 1 1 d .
H1A H 0.2722 0.9405 0.4351 0.057 Uiso 1 1 calc R
H1B H 0.2931 1.0243 0.5279 0.057 Uiso 1 1 calc R
C111 C 0.9894(8) 0.7420(6) 0.1439(6) 0.021(2) Uani 1 1 d .
C112 C 1.1061(9) 0.8089(7) 0.2040(7) 0.025(2) Uani 1 1 d .
H11A H 1.1376 0.7998 0.2594 0.030 Uiso 1 1 calc R
C113 C 1.1721(11) 0.8883(9) 0.1785(8) 0.039(3) Uani 1 1 d .
H11B H 1.2502 0.9327 0.2156 0.047 Uiso 1 1 calc R
C114 C 1.1218(11) 0.9021(8) 0.0970(9) 0.038(3) Uani 1 1 d .
H11C H 1.1659 0.9571 0.0805 0.046 Uiso 1 1 calc R
C115 C 1.0046(13) 0.8334(10) 0.0395(9) 0.046(3) Uani 1 1 d .
H11D H 0.9709 0.8430 -0.0149 0.055 Uiso 1 1 calc R
C121 C 0.7659(8) 0.6187(7) 0.1573(6) 0.0164(18) Uani 1 1 d .
C122 C 0.7299(9) 0.6834(8) 0.1250(7) 0.028(2) Uani 1 1 d .
H12A H 0.7793 0.7414 0.1144 0.034 Uiso 1 1 calc R
C123 C 0.6153(11) 0.6596(10) 0.1082(8) 0.044(3) Uani 1 1 d .
H12B H 0.5859 0.6990 0.0836 0.053 Uiso 1 1 calc R
C124 C 0.5526(10) 0.5788(9) 0.1292(8) 0.038(3) Uani 1 1 d .
H12C H 0.4779 0.5621 0.1204 0.046 Uiso 1 1 calc R
C125 C 0.5953(9) 0.5184(8) 0.1640(7) 0.029(2) Uani 1 1 d .
H12D H 0.5477 0.4620 0.1773 0.035 Uiso 1 1 calc R
N126 N 0.7001(7) 0.5375(6) 0.1790(5) 0.0237(18) Uani 1 1 d .
C131 C 0.8602(9) 0.5120(7) 0.0669(6) 0.022(2) Uani 1 1 d .
C132 C 0.9083(9) 0.4492(7) 0.0728(7) 0.025(2) Uani 1 1 d .
H13A H 0.9634 0.4639 0.1304 0.030 Uiso 1 1 calc R
C133 C 0.8762(10) 0.3638(9) -0.0058(7) 0.037(3) Uani 1 1 d .
H13B H 0.9096 0.3212 -0.0020 0.045 Uiso 1 1 calc R
C134 C 0.7935(11) 0.3425(9) -0.0903(7) 0.043(3) Uani 1 1 d .
H13C H 0.7715 0.2860 -0.1445 0.052 Uiso 1 1 calc R
C135 C 0.7432(10) 0.4064(9) -0.0941(7) 0.036(3) Uani 1 1 d .
H13D H 0.6857 0.3907 -0.1505 0.044 Uiso 1 1 calc R
C136 C 0.7773(9) 0.4910(7) -0.0166(6) 0.024(2) Uani 1 1 d .
H13E H 0.7448 0.5344 -0.0199 0.029 Uiso 1 1 calc R
C211 C 0.7338(8) 0.2087(7) 0.1405(6) 0.020(2) Uani 1 1 d .
C212 C 0.6895(10) 0.1148(8) 0.0638(7) 0.032(2) Uani 1 1 d .
H21A H 0.7114 0.0646 0.0710 0.038 Uiso 1 1 calc R
C213 C 0.6146(10) 0.0971(8) -0.0211(7) 0.037(3) Uani 1 1 d .
H21B H 0.5894 0.0376 -0.0739 0.045 Uiso 1 1 calc R
C214 C 0.5760(10) 0.1679(8) -0.0284(7) 0.041(3) Uani 1 1 d .
H21C H 0.5209 0.1551 -0.0852 0.050 Uiso 1 1 calc R
C215 C 0.6211(10) 0.2594(9) 0.0508(7) 0.033(2) Uani 1 1 d .
H21D H 0.5970 0.3086 0.0453 0.039 Uiso 1 1 calc R
N216 N 0.6973(7) 0.2792(6) 0.1340(5) 0.0244(18) Uani 1 1 d .
C221 C 0.8900(10) 0.1503(8) 0.2458(6) 0.031(2) Uani 1 1 d .
C222 C 0.9419(13) 0.1504(11) 0.1859(10) 0.055(4) Uani 1 1 d .
H22A H 0.9474 0.1954 0.1518 0.066 Uiso 1 1 calc R
C223 C 0.9860(13) 0.0866(12) 0.1748(10) 0.061(4) Uani 1 1 d .
H22B H 1.0168 0.0840 0.1294 0.073 Uiso 1 1 calc R
C224 C 0.9872(13) 0.0248(10) 0.2284(9) 0.051(3) Uani 1 1 d .
H22C H 1.0133 -0.0232 0.2167 0.061 Uiso 1 1 calc R
C225 C 0.9505(18) 0.0347(15) 0.2974(13) 0.093(7) Uani 1 1 d .
H22D H 0.9610 0.0017 0.3405 0.112 Uiso 1 1 calc R
N226 N 0.8953(17) 0.0955(15) 0.3054(12) 0.114(7) Uani 1 1 d .
C231 C 0.7278(9) 0.1775(7) 0.3114(7) 0.025(2) Uani 1 1 d .
C232 C 0.6343(10) 0.0785(7) 0.2581(7) 0.031(3) Uani 1 1 d .
H23A H 0.6204 0.0433 0.1959 0.037 Uiso 1 1 calc R
C233 C 0.5649(12) 0.0350(9) 0.2972(8) 0.049(4) Uani 1 1 d .
H23B H 0.5017 -0.0332 0.2617 0.059 Uiso 1 1 calc R
C234 C 0.5795(10) 0.0837(9) 0.3874(8) 0.041(3) Uani 1 1 d .
H23C H 0.5277 0.0478 0.4116 0.049 Uiso 1 1 calc R
C235 C 0.6693(9) 0.1844(8) 0.4421(7) 0.033(3) Uani 1 1 d .
H23D H 0.6790 0.2198 0.5028 0.039 Uiso 1 1 calc R
C236 C 0.7461(8) 0.2314(8) 0.4022(7) 0.027(2) Uani 1 1 d .
H23E H 0.8099 0.2994 0.4371 0.032 Uiso 1 1 calc R
C311 C 0.6480(8) 0.4308(7) 0.4253(7) 0.023(2) Uani 1 1 d .
C312 C 0.5720(9) 0.3786(9) 0.4636(8) 0.037(3) Uani 1 1 d .
H31A H 0.5835 0.4120 0.5254 0.044 Uiso 1 1 calc R
C313 C 0.4791(13) 0.2765(11) 0.4090(10) 0.057(4) Uani 1 1 d .
H31B H 0.4291 0.2402 0.4345 0.068 Uiso 1 1 calc R
C314 C 0.4620(9) 0.2298(9) 0.3177(8) 0.036(3) Uani 1 1 d .
H31C H 0.3993 0.1622 0.2792 0.043 Uiso 1 1 calc R
C315 C 0.5413(8) 0.2865(8) 0.2836(7) 0.025(2) Uani 1 1 d .
H31D H 0.5294 0.2546 0.2213 0.030 Uiso 1 1 calc R
N316 N 0.6323(7) 0.3829(6) 0.3346(6) 0.0227(17) Uani 1 1 d .
C321 C 0.7230(8) 0.6451(7) 0.4364(6) 0.022(2) Uani 1 1 d .
C322 C 0.8003(10) 0.7304(9) 0.4223(9) 0.040(3) Uani 1 1 d .
H32A H 0.8770 0.7488 0.4419 0.048 Uiso 1 1 calc R
C323 C 0.7615(14) 0.7885(10) 0.3784(10) 0.057(4) Uani 1 1 d .
H32B H 0.8118 0.8452 0.3670 0.068 Uiso 1 1 calc R
C324 C 0.6486(11) 0.7611(9) 0.3520(8) 0.039(3) Uani 1 1 d .
H32C H 0.6219 0.7996 0.3230 0.047 Uiso 1 1 calc R
C325 C 0.5746(12) 0.6766(10) 0.3685(8) 0.044(3) Uani 1 1 d .
H32D H 0.4982 0.6592 0.3507 0.053 Uiso 1 1 calc R
N326 N 0.6106(10) 0.6175(8) 0.4106(7) 0.045(3) Uani 1 1 d .
C331 C 0.7759(10) 0.5955(8) 0.6082(7) 0.031(2) Uani 1 1 d .
C332 C 0.8082(11) 0.5414(10) 0.6580(7) 0.037(3) Uani 1 1 d .
H33A H 0.8325 0.4962 0.6333 0.045 Uiso 1 1 calc R
C333 C 0.8044(11) 0.5546(10) 0.7451(7) 0.042(3) Uani 1 1 d .
H33B H 0.8201 0.5129 0.7772 0.051 Uiso 1 1 calc R
C334 C 0.7792(12) 0.6245(11) 0.7858(8) 0.052(4) Uani 1 1 d .
H33C H 0.7833 0.6357 0.8474 0.063 Uiso 1 1 calc R
C335 C 0.7469(17) 0.6806(14) 0.7362(9) 0.081(6) Uani 1 1 d .
H33D H 0.7264 0.7283 0.7631 0.097 Uiso 1 1 calc R
C336 C 0.7452(13) 0.6653(10) 0.6468(8) 0.048(3) Uani 1 1 d .
H33E H 0.7232 0.7025 0.6124 0.058 Uiso 1 1 calc R
Cl1 Cl 0.2296(3) 1.0643(3) 0.4002(3) 0.0593(9) Uiso 1 1 d .
Cl2 Cl 0.1096(4) 0.8929(3) 0.4577(3) 0.0693(10) Uiso 1 1 d .
F1 F 0.4345(6) 0.7923(5) 0.2763(4) 0.0465(18) Uani 1 1 d .
F2 F 0.3416(6) 0.8579(6) 0.3437(6) 0.058(2) Uani 1 1 d .
F3 F 0.4922(6) 0.8514(6) 0.4357(4) 0.0519(19) Uani 1 1 d .
F4 F 0.3241(8) 0.6985(6) 0.3410(6) 0.078(3) Uani 1 1 d .
F5 F 0.6444(6) 0.8902(5) 0.9131(5) 0.058(2) Uani 1 1 d .
F6 F 0.6119(9) 0.7283(5) 0.9143(6) 0.085(3) Uani 1 1 d .
F7 F 0.7098(10) 0.8701(7) 1.0483(5) 0.093(4) Uani 1 1 d .
F8 F 0.7870(8) 0.8569(8) 0.9429(8) 0.096(3) Uani 1 1 d .
O1 O 1.0447(5) 0.5741(5) 0.4152(4) 0.0204(14) Uani 1 1 d .
P1 P 0.9024(2) 0.62593(18) 0.16829(16) 0.0187(5) Uani 1 1 d .
P2 P 0.8276(2) 0.23550(19) 0.25877(16) 0.0213(5) Uani 1 1 d .
P3 P 0.7697(2) 0.56510(19) 0.48834(16) 0.0203(5) Uani 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_3
C115 N116 C111 120.1(10) .
N316 Ag1 N126 105.1(3) .
N316 Ag1 N216 103.9(3) .
N126 Ag1 N216 103.2(3) .
N316 Ag1 Au2 108.1(2) .
N126 Ag1 Au2 143.7(2) .
N216 Ag1 Au2 82.8(2) .
N316 Ag1 Au1 139.6(2) .
N126 Ag1 Au1 82.9(2) .
N216 Ag1 Au1 112.8(2) .
Au2 Ag1 Au1 62.317(19) .
N316 Ag1 Au3 80.2(2) .
N126 Ag1 Au3 112.18(18) .
N216 Ag1 Au3 142.1(2) .
Au2 Ag1 Au3 60.626(18) .
Au1 Ag1 Au3 60.611(18) .
O1 Au1 P1 172.83(17) .
O1 Au1 Ag1 87.99(17) .
P1 Au1 Ag1 85.42(6) .
O1 Au1 Au3 43.40(19) .
P1 Au1 Au3 133.94(7) .
Ag1 Au1 Au3 61.314(17) .
O1 Au1 Au2 43.50(16) .
P1 Au1 Au2 129.76(6) .
Ag1 Au1 Au2 58.768(18) .
Au3 Au1 Au2 59.728(12) .
O1 Au2 P2 173.0(2) .
O1 Au2 Ag1 87.36(18) .
P2 Au2 Ag1 85.88(7) .
O1 Au2 Au3 43.49(18) .
P2 Au2 Au3 130.72(7) .
Ag1 Au2 Au3 61.382(18) .
O1 Au2 Au1 42.46(16) .
P2 Au2 Au1 133.57(6) .
Ag1 Au2 Au1 58.915(17) .
Au3 Au2 Au1 59.776(12) .
O1 Au2 Au3 78.04(16) 2_766
P2 Au2 Au3 105.69(6) 2_766
Ag1 Au2 Au3 134.78(2) 2_766
Au3 Au2 Au3 79.529(14) 2_766
Au1 Au2 Au3 120.485(16) 2_766
O1 Au3 P3 170.94(18) .
O1 Au3 Au2 44.01(16) .
P3 Au3 Au2 131.39(6) .
O1 Au3 Au1 42.86(17) .
P3 Au3 Au1 129.20(6) .
Au2 Au3 Au1 60.496(12) .
O1 Au3 Ag1 84.99(17) .
P3 Au3 Ag1 86.29(6) .
Au2 Au3 Ag1 57.992(18) .
Au1 Au3 Ag1 58.075(16) .
O1 Au3 Au2 93.13(17) 2_766
P3 Au3 Au2 95.63(6) 2_766
Au2 Au3 Au2 100.471(14) 2_766
Au1 Au3 Au2 133.839(17) 2_766
Ag1 Au3 Au2 149.410(19) 2_766
F4 B1 F2 112.4(12) .
F4 B1 F1 109.3(10) .
F2 B1 F1 109.6(10) .
F4 B1 F3 110.2(10) .
F2 B1 F3 108.5(10) .
F1 B1 F3 106.7(11) .
F7 B2 F6 110.9(10) .
F7 B2 F8 110.4(12) .
F6 B2 F8 110.1(12) .
F7 B2 F5 108.6(11) .
F6 B2 F5 110.4(10) .
F8 B2 F5 106.3(10) .
Cl2 C1 Cl1 111.6(8) .
N116 C111 C112 122.3(8) .
N116 C111 P1 118.3(7) .
C112 C111 P1 119.0(7) .
C113 C112 C111 117.9(10) .
C112 C113 C114 119.7(11) .
C113 C114 C115 120.2(10) .
N116 C115 C114 119.8(11) .
N126 C121 C122 123.2(9) .
N126 C121 P1 112.1(7) .
C122 C121 P1 124.5(7) .
C121 C122 C123 118.4(9) .
C124 C123 C122 116.8(11) .
C123 C124 C125 121.8(11) .
N126 C125 C124 122.7(9) .
C125 N126 C121 116.9(8) .
C125 N126 Ag1 114.9(6) .
C121 N126 Ag1 127.6(7) .
C132 C131 C136 121.0(9) .
C132 C131 P1 121.5(8) .
C136 C131 P1 117.5(8) .
C131 C132 C133 120.5(10) .
C134 C133 C132 118.9(11) .
C133 C134 C135 119.6(10) .
C136 C135 C134 120.7(10) .
C135 C136 C131 119.3(10) .
N216 C211 C212 121.4(8) .
N216 C211 P2 115.2(6) .
C212 C211 P2 122.9(7) .
C213 C212 C211 119.8(10) .
C214 C213 C212 119.2(10) .
C213 C214 C215 118.6(10) .
N216 C215 C214 122.6(10) .
C215 N216 C211 118.1(8) .
C215 N216 Ag1 116.0(7) .
C211 N216 Ag1 125.8(6) .
C222 C221 N226 119.8(12) .
C222 C221 P2 120.2(8) .
N226 C221 P2 119.5(10) .
C223 C222 C221 120.5(11) .
C222 C223 C224 121.8(12) .
C225 C224 C223 118.5(13) .
C224 C225 N226 120.1(13) .
C221 N226 C225 118.3(14) .
C232 C231 C236 121.2(9) .
C232 C231 P2 117.6(7) .
C236 C231 P2 121.2(7) .
C233 C232 C231 117.6(10) .
C232 C233 C234 123.8(11) .
C235 C234 C233 120.7(10) .
C234 C235 C236 116.3(10) .
C231 C236 C235 120.3(9) .
N316 C311 C312 120.9(9) .
N316 C311 P3 115.4(6) .
C312 C311 P3 123.7(8) .
C313 C312 C311 119.7(11) .
C314 C313 C312 119.3(11) .
C313 C314 C315 118.2(10) .
N316 C315 C314 123.9(9) .
C315 N316 C311 118.0(8) .
C315 N316 Ag1 113.2(6) .
C311 N316 Ag1 128.4(6) .
N326 C321 C322 122.0(9) .
N326 C321 P3 118.1(7) .
C322 C321 P3 119.9(8) .
C321 C322 C323 119.1(12) .
C324 C323 C322 119.2(11) .
C323 C324 C325 120.1(11) .
C324 C325 N326 121.7(13) .
C321 N326 C325 117.9(10) .
C332 C331 C336 120.2(10) .
C332 C331 P3 116.6(8) .
C336 C331 P3 123.1(8) .
C331 C332 C333 118.6(11) .
C334 C333 C332 122.4(12) .
C333 C334 C335 119.4(11) .
C336 C335 C334 119.2(12) .
C335 C336 C331 119.9(11) .
Au1 O1 Au3 93.7(3) .
Au1 O1 Au2 94.0(2) .
Au3 O1 Au2 92.5(2) .
C131 P1 C111 104.2(4) .
C131 P1 C121 102.7(4) .
C111 P1 C121 109.4(4) .
C131 P1 Au1 109.8(3) .
C111 P1 Au1 117.1(3) .
C121 P1 Au1 112.4(3) .
C221 P2 C211 106.9(4) .
C221 P2 C231 104.4(5) .
C211 P2 C231 103.1(4) .
C221 P2 Au2 116.8(4) .
C211 P2 Au2 112.8(3) .
C231 P2 Au2 111.7(3) .
C321 P3 C331 108.4(5) .
C321 P3 C311 103.5(4) .
C331 P3 C311 103.4(4) .
C321 P3 Au3 110.1(3) .
C331 P3 Au3 120.0(4) .
C311 P3 Au3 110.1(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
N116 C115 1.340(14) .
N116 C111 1.352(13) .
Ag1 N316 2.338(8) .
Ag1 N126 2.356(8) .
Ag1 N216 2.382(8) .
Ag1 Au2 2.8980(9) .
Ag1 Au1 2.9025(8) .
Ag1 Au3 3.0001(8) .
Au1 O1 2.031(6) .
Au1 P1 2.222(2) .
Au1 Au3 2.9797(5) .
Au1 Au2 3.0013(5) .
Au2 O1 2.071(6) .
Au2 P2 2.233(2) .
Au2 Au3 2.9782(5) .
Au2 Au3 3.0376(5) 2_766
Au3 O1 2.052(7) .
Au3 P3 2.223(3) .
Au3 Au2 3.0376(5) 2_766
B1 F4 1.341(14) .
B1 F2 1.370(17) .
B1 F1 1.398(15) .
B1 F3 1.421(15) .
B2 F7 1.342(14) .
B2 F6 1.351(13) .
B2 F8 1.371(17) .
B2 F5 1.383(15) .
C1 Cl2 1.720(13) .
C1 Cl1 1.757(12) .
C111 C112 1.404(14) .
C111 P1 1.831(8) .
C112 C113 1.372(13) .
C113 C114 1.388(16) .
C114 C115 1.403(18) .
C121 N126 1.349(10) .
C121 C122 1.376(13) .
C121 P1 1.826(10) .
C122 C123 1.424(16) .
C123 C124 1.323(15) .
C124 C125 1.389(15) .
C125 N126 1.314(13) .
C131 C132 1.359(13) .
C131 C136 1.371(13) .
C131 P1 1.807(9) .
C132 C133 1.378(14) .
C133 C134 1.379(15) .
C134 C135 1.394(16) .
C135 C136 1.353(14) .
C211 N216 1.347(12) .
C211 C212 1.394(13) .
C211 P2 1.814(9) .
C212 C213 1.351(14) .
C213 C214 1.373(16) .
C214 C215 1.393(14) .
C215 N216 1.329(12) .
C221 C222 1.336(15) .
C221 N226 1.368(14) .
C221 P2 1.814(11) .
C222 C223 1.331(17) .
C223 C224 1.369(17) .
C224 C225 1.33(2) .
C225 N226 1.41(2) .
C231 C232 1.361(13) .
C231 C236 1.378(13) .
C231 P2 1.813(10) .
C232 C233 1.305(15) .
C233 C234 1.366(15) .
C234 C235 1.362(14) .
C235 C236 1.398(13) .
C311 N316 1.366(12) .
C311 C312 1.394(12) .
C311 P3 1.808(10) .
C312 C313 1.387(17) .
C313 C314 1.364(17) .
C314 C315 1.397(13) .
C315 N316 1.324(11) .
C321 N326 1.364(14) .
C321 C322 1.384(14) .
C321 P3 1.803(10) .
C322 C323 1.394(16) .
C323 C324 1.370(19) .
C324 C325 1.378(16) .
C325 N326 1.373(14) .
C331 C332 1.353(14) .
C331 C336 1.365(15) .
C331 P3 1.814(10) .
C332 C333 1.363(13) .
C333 C334 1.321(18) .
C334 C335 1.376(18) .
C335 C336 1.370(16) .
