#------------------------------------------------------------------------------
#$Date: 2025-08-20 19:06:18 +0300 (Wed, 20 Aug 2025) $
#$Revision: 301834 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/10/4121021.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_4121021
loop_
_publ_author_name
'Yang Yang'
'Xiao-Li Pei'
'Quan-Ming Wang'
_publ_section_title
;
 Postclustering Dynamic Covalent Modification for Chirality Control and
 Chiral Sensing
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16184
_journal_page_last               16191
_journal_paper_doi               10.1021/ja4075419
_journal_volume                  135
_journal_year                    2013
_chemical_formula_sum            'C60 H60 Ag Au3 B2 F8 N3 O7 P3'
_chemical_formula_weight         1900.41
_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                106.857(10)
_cell_angle_beta                 94.398(7)
_cell_angle_gamma                115.063(10)
_cell_formula_units_Z            2
_cell_length_a                   13.9185(10)
_cell_length_b                   14.5434(18)
_cell_length_c                   18.3354(18)
_cell_measurement_reflns_used    4609
_cell_measurement_temperature    100(2)
_cell_volume                     3131.2(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) x-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0764
_diffrn_reflns_av_sigmaI/netI    0.1436
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            19808
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.36
_exptl_absorpt_coefficient_mu    7.469
_exptl_absorpt_correction_T_max  0.4004
_exptl_absorpt_correction_T_min  0.2568
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Pale-Yellow
_exptl_crystal_density_diffrn    2.016
_exptl_crystal_description       block-like
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.652
_refine_diff_density_min         -2.647
_refine_diff_density_rms         0.294
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     784
_refine_ls_number_reflns         11014
_refine_ls_number_restraints     177
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0958
_refine_ls_R_factor_gt           0.0599
_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)+(0.0264P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1133
_refine_ls_wR_factor_ref         0.1380
_reflns_number_gt                7469
_reflns_number_total             11014
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja4075419_si_002_3.cif
_cod_data_source_block           3
_cod_depositor_comments
;

2021-04-11
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_cell_volume        3131.2(5)
_cod_original_formula_sum        'C120 H120 Ag2 Au6 B4 F16 N6 O14 P6'
_cod_original_formula_units_Z    1
_cod_original_formula_weight     3800.82
_cod_database_code               4121021
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 0.69962(4) 0.42762(4) 0.06680(3) 0.01913(15) Uani 1 1 d .
Au2 Au 0.47737(4) 0.40304(4) 0.07346(3) 0.01773(15) Uani 1 1 d .
Au3 Au 0.65103(4) 0.61041(4) 0.06887(3) 0.01665(14) Uani 1 1 d .
Ag1 Ag 0.66967(8) 0.55744(9) 0.20466(6) 0.0204(3) Uani 1 1 d .
P1 P 0.8153(3) 0.4048(3) 0.1408(2) 0.0225(8) Uani 1 1 d .
P2 P 0.3781(3) 0.3762(3) 0.1628(2) 0.0223(9) Uani 1 1 d .
P3 P 0.7188(3) 0.7821(3) 0.1504(2) 0.0182(8) Uani 1 1 d U
B1 B 0.3364(12) 0.9109(15) 0.1975(12) 0.094(12) Uani 1 1 d D
B2 B 0.0708(12) 0.3010(13) 0.3410(10) 0.062(5) Uani 1 1 d DU
F1 F 0.3500(11) 1.0134(11) 0.2430(8) 0.125(6) Uani 1 1 d D
F2 F 0.3113(11) 0.9024(12) 0.1203(7) 0.130(6) Uani 1 1 d D
F3 F 0.4304(8) 0.9077(9) 0.2147(9) 0.114(6) Uani 1 1 d D
F4 F 0.2501(9) 0.8289(12) 0.2093(12) 0.186(10) Uani 1 1 d D
F5 F 0.0699(9) 0.3669(11) 0.3035(10) 0.141(6) Uani 1 1 d DU
F6 F 0.1591(6) 0.2837(7) 0.3351(5) 0.050(3) Uani 1 1 d D
F7 F -0.0245(8) 0.2062(8) 0.3108(7) 0.079(3) Uani 1 1 d DU
F8 F 0.0765(12) 0.3497(14) 0.4195(7) 0.183(8) Uani 1 1 d DU
O1 O 1.1513(9) 0.8173(10) 0.4727(7) 0.052(3) Uani 1 1 d .
O2 O 0.9960(10) 0.8439(9) 0.4672(6) 0.051(3) Uani 1 1 d .
O3 O 0.7695(9) 0.4190(11) 0.4161(7) 0.058(4) Uani 1 1 d .
O4 O 0.6415(9) 0.3775(11) 0.4933(6) 0.050(3) Uani 1 1 d .
O5 O 0.5773(8) 0.9026(9) 0.4933(6) 0.037(3) Uani 1 1 d .
O6 O 0.6096(8) 0.7570(9) 0.4959(5) 0.035(3) Uani 1 1 d .
O7 O 0.5888(7) 0.4482(7) 0.0038(5) 0.024(2) Uani 1 1 d .
N1 N 0.8457(8) 0.5893(10) 0.2601(6) 0.023(3) Uani 1 1 d .
N2 N 0.5669(10) 0.4315(10) 0.2581(6) 0.029(3) Uani 1 1 d .
N3 N 0.6492(8) 0.7100(9) 0.2676(6) 0.019(3) Uani 1 1 d .
C110 C 0.7448(11) 0.2871(13) 0.1681(7) 0.028(4) Uani 1 1 d .
C111 C 0.6328(12) 0.2408(13) 0.1539(8) 0.032(4) Uani 1 1 d .
H11D H 0.5948 0.2639 0.1259 0.038 Uiso 1 1 calc R
C112 C 0.5767(13) 0.1566(13) 0.1832(8) 0.034(4) Uani 1 1 d .
H11C H 0.5009 0.1228 0.1723 0.041 Uiso 1 1 calc R
C113 C 0.6317(13) 0.1239(14) 0.2274(9) 0.040(4) Uani 1 1 d .
H11B H 0.5941 0.0699 0.2470 0.048 Uiso 1 1 calc R
C114 C 0.7409(14) 0.1722(15) 0.2413(10) 0.053(5) Uani 1 1 d .
H11E H 0.7783 0.1501 0.2708 0.064 Uiso 1 1 calc R
C115 C 0.8014(12) 0.2545(13) 0.2134(8) 0.032(4) Uani 1 1 d .
H11A H 0.8771 0.2867 0.2245 0.039 Uiso 1 1 calc R
C120 C 0.9216(12) 0.3936(12) 0.0966(7) 0.024(3) Uani 1 1 d .
C121 C 0.9069(14) 0.3021(14) 0.0429(11) 0.053(5) Uani 1 1 d .
H12D H 0.8406 0.2399 0.0310 0.064 Uiso 1 1 calc R
C122 C 0.9874(17) 0.2954(17) 0.0035(12) 0.064(6) Uani 1 1 d .
H12E H 0.9761 0.2293 -0.0319 0.077 Uiso 1 1 calc R
C123 C 1.0832(14) 0.3882(16) 0.0181(11) 0.046(5) Uani 1 1 d .
H12B H 1.1375 0.3842 -0.0071 0.055 Uiso 1 1 calc R
C124 C 1.1001(13) 0.4836(16) 0.0675(9) 0.042(4) Uani 1 1 d .
H12C H 1.1647 0.5460 0.0754 0.050 Uiso 1 1 calc R
C125 C 1.0211(13) 0.4895(16) 0.1070(9) 0.045(5) Uani 1 1 d .
H12A H 1.0325 0.5566 0.1408 0.054 Uiso 1 1 calc R
C130 C 0.8844(11) 0.5147(13) 0.2332(8) 0.030(4) Uani 1 1 d .
C131 C 0.9749(12) 0.5279(14) 0.2822(8) 0.037(4) Uani 1 1 d U
H13C H 1.0039 0.4808 0.2646 0.044 Uiso 1 1 calc R
C132 C 1.0219(12) 0.6057(13) 0.3536(8) 0.032(3) Uani 1 1 d U
H13B H 1.0793 0.6090 0.3855 0.038 Uiso 1 1 calc R
C133 C 0.9839(12) 0.6820(13) 0.3798(8) 0.033(3) Uani 1 1 d U
C134 C 0.8947(11) 0.6692(12) 0.3297(8) 0.028(3) Uani 1 1 d U
H13A H 0.8681 0.7188 0.3457 0.034 Uiso 1 1 calc R
C135 C 1.0396(14) 0.7709(14) 0.4585(9) 0.045(4) Uani 1 1 d U
H13D H 1.0183 0.7367 0.4975 0.054 Uiso 1 1 calc R
C136 C 1.0317(18) 0.9221(16) 0.5462(10) 0.073(7) Uani 1 1 d .
H13E H 1.0005 0.9704 0.5495 0.110 Uiso 1 1 calc R
H13F H 1.1097 0.9632 0.5596 0.110 Uiso 1 1 calc R
H13G H 1.0084 0.8846 0.5819 0.110 Uiso 1 1 calc R
C137 C 1.1924(17) 0.8643(17) 0.4127(12) 0.084(7) Uani 1 1 d .
H13H H 1.2705 0.8959 0.4238 0.126 Uiso 1 1 calc R
H13I H 1.1711 0.9193 0.4137 0.126 Uiso 1 1 calc R
H13J H 1.1623 0.8080 0.3619 0.126 Uiso 1 1 calc R
C210 C 0.2547(10) 0.2513(13) 0.1361(8) 0.026(3) Uani 1 1 d U
C211 C 0.1523(11) 0.2444(13) 0.1290(10) 0.039(4) Uani 1 1 d U
H21C H 0.1445 0.3066 0.1361 0.047 Uiso 1 1 calc R
C212 C 0.0599(12) 0.1436(13) 0.1111(11) 0.050(4) Uani 1 1 d U
H21E H -0.0084 0.1406 0.1097 0.060 Uiso 1 1 calc R
C213 C 0.0682(12) 0.0496(14) 0.0958(8) 0.035(3) Uani 1 1 d U
H21D H 0.0056 -0.0164 0.0828 0.042 Uiso 1 1 calc R
C214 C 0.1682(12) 0.0522(13) 0.0994(9) 0.038(4) Uani 1 1 d U
H21B H 0.1749 -0.0111 0.0886 0.045 Uiso 1 1 calc R
C215 C 0.2594(13) 0.1534(13) 0.1198(9) 0.041(4) Uani 1 1 d .
H21A H 0.3275 0.1560 0.1227 0.050 Uiso 1 1 calc R
C220 C 0.3474(10) 0.4860(11) 0.2048(8) 0.021(3) Uani 1 1 d .
C221 C 0.2993(11) 0.4924(14) 0.2687(9) 0.033(4) Uani 1 1 d .
H22C H 0.2793 0.4375 0.2896 0.040 Uiso 1 1 calc R
C222 C 0.2817(12) 0.5794(13) 0.3007(8) 0.036(4) Uani 1 1 d .
H22E H 0.2507 0.5835 0.3439 0.043 Uiso 1 1 calc R
C223 C 0.3085(12) 0.6611(13) 0.2707(9) 0.038(4) Uani 1 1 d .
H22B H 0.2940 0.7188 0.2924 0.045 Uiso 1 1 calc R
C224 C 0.3568(11) 0.6564(12) 0.2086(9) 0.031(4) Uani 1 1 d .
H22A H 0.3763 0.7122 0.1887 0.037 Uiso 1 1 calc R
C225 C 0.3771(11) 0.5707(12) 0.1748(8) 0.027(4) Uani 1 1 d .
H22D H 0.4102 0.5687 0.1326 0.032 Uiso 1 1 calc R
C230 C 0.4578(10) 0.3706(11) 0.2446(7) 0.019(3) Uani 1 1 d .
C231 C 0.4084(12) 0.3138(13) 0.2923(8) 0.036(4) Uani 1 1 d .
H23A H 0.3331 0.2802 0.2858 0.043 Uiso 1 1 calc R
C232 C 0.4758(14) 0.3093(15) 0.3501(9) 0.047(5) Uani 1 1 d .
H23B H 0.4456 0.2685 0.3808 0.057 Uiso 1 1 calc R
C233 C 0.5873(13) 0.3655(15) 0.3615(9) 0.041(5) Uani 1 1 d .
C234 C 0.6274(12) 0.4264(13) 0.3154(8) 0.035(4) Uani 1 1 d .
H23C H 0.7027 0.4673 0.3251 0.042 Uiso 1 1 calc R
C235 C 0.6642(13) 0.3540(16) 0.4196(9) 0.049(5) Uani 1 1 d .
H23D H 0.6508 0.2783 0.4008 0.059 Uiso 1 1 calc R
C236 C 0.6488(18) 0.4815(18) 0.5251(10) 0.073(7) Uani 1 1 d .
H23H H 0.6321 0.4915 0.5758 0.110 Uiso 1 1 calc R
H23I H 0.5978 0.4879 0.4912 0.110 Uiso 1 1 calc R
H23J H 0.7213 0.5359 0.5300 0.110 Uiso 1 1 calc R
C237 C 0.8476(15) 0.3999(19) 0.4585(12) 0.076(7) Uani 1 1 d .
H23E H 0.9200 0.4465 0.4561 0.115 Uiso 1 1 calc R
H23F H 0.8320 0.3254 0.4353 0.115 Uiso 1 1 calc R
H23G H 0.8424 0.4153 0.5122 0.115 Uiso 1 1 calc R
C310 C 0.6838(11) 0.8668(10) 0.1085(7) 0.019(3) Uani 1 1 d U
C311 C 0.7605(12) 0.9526(11) 0.0923(8) 0.029(3) Uani 1 1 d U
H31A H 0.8344 0.9746 0.1079 0.035 Uiso 1 1 calc R
C312 C 0.7270(13) 1.0055(13) 0.0528(9) 0.039(3) Uani 1 1 d U
H31E H 0.7778 1.0637 0.0421 0.046 Uiso 1 1 calc R
C313 C 0.6141(13) 0.9698(14) 0.0288(9) 0.041(3) Uani 1 1 d U
H31D H 0.5910 1.0042 0.0013 0.049 Uiso 1 1 calc R
C314 C 0.5396(12) 0.8873(12) 0.0449(8) 0.032(4) Uani 1 1 d .
H31B H 0.4660 0.8673 0.0304 0.038 Uiso 1 1 calc R
C315 C 0.5720(12) 0.8307(13) 0.0835(8) 0.034(4) Uani 1 1 d .
H31C H 0.5205 0.7709 0.0922 0.041 Uiso 1 1 calc R
C320 C 0.8649(10) 0.8498(11) 0.1913(7) 0.019(3) Uani 1 1 d U
C321 C 0.9217(11) 0.9578(11) 0.2403(8) 0.029(3) Uani 1 1 d U
H32D H 0.8840 0.9978 0.2527 0.034 Uiso 1 1 calc R
C322 C 1.0331(11) 1.0082(13) 0.2716(8) 0.033(3) Uani 1 1 d U
H32A H 1.0707 1.0810 0.3036 0.039 Uiso 1 1 calc R
C323 C 1.0859(12) 0.9457(14) 0.2531(9) 0.032(3) Uani 1 1 d U
H32E H 1.1607 0.9780 0.2728 0.039 Uiso 1 1 calc R
C324 C 1.0324(12) 0.8384(15) 0.2070(9) 0.040(4) Uani 1 1 d .
H32C H 1.0702 0.7983 0.1971 0.048 Uiso 1 1 calc R
C325 C 0.9194(12) 0.7882(14) 0.1743(10) 0.039(4) Uani 1 1 d .
H32B H 0.8823 0.7153 0.1421 0.047 Uiso 1 1 calc R
C330 C 0.6629(11) 0.7903(12) 0.2378(8) 0.024(3) Uani 1 1 d .
C331 C 0.6425(11) 0.8749(13) 0.2774(8) 0.030(3) Uani 1 1 d U
H33C H 0.6490 0.9275 0.2562 0.036 Uiso 1 1 calc R
C332 C 0.6136(11) 0.8809(12) 0.3463(8) 0.027(3) Uani 1 1 d U
H5A H 0.6048 0.9400 0.3747 0.033 Uiso 1 1 calc R
C333 C 0.5970(10) 0.7976(12) 0.3745(8) 0.023(3) Uani 1 1 d U
C334 C 0.6192(10) 0.7179(11) 0.3355(8) 0.020(3) Uani 1 1 d U
H33A H 0.6134 0.6657 0.3570 0.024 Uiso 1 1 calc R
C335 C 0.5572(13) 0.7960(13) 0.4501(8) 0.032(4) Uani 1 1 d .
H33B H 0.4784 0.7480 0.4362 0.038 Uiso 1 1 calc R
C336 C 0.7268(13) 0.8247(15) 0.5259(9) 0.051(5) Uani 1 1 d .
H33D H 0.7547 0.7924 0.5549 0.077 Uiso 1 1 calc R
H33E H 0.7416 0.8958 0.5596 0.077 Uiso 1 1 calc R
H33F H 0.7615 0.8307 0.4830 0.077 Uiso 1 1 calc R
C337 C 0.5208(16) 0.9093(15) 0.5566(9) 0.055(5) Uani 1 1 d .
H33G H 0.5386 0.9838 0.5836 0.083 Uiso 1 1 calc R
H33H H 0.5430 0.8816 0.5926 0.083 Uiso 1 1 calc R
H33I H 0.4436 0.8671 0.5355 0.083 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'
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'
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
O7 Au1 P1 176.8(2) . .
O7 Au1 Ag1 87.5(3) . .
P1 Au1 Ag1 89.86(10) . .
O7 Au1 Au2 44.7(2) . .
P1 Au1 Au2 132.12(9) . .
Ag1 Au1 Au2 60.97(3) . .
O7 Au1 Au3 43.0(3) . .
P1 Au1 Au3 136.24(11) . .
Ag1 Au1 Au3 57.82(2) . .
Au2 Au1 Au3 60.075(18) . .
O7 Au2 P2 171.4(3) . .
O7 Au2 Au3 74.8(2) . 2_665
P2 Au2 Au3 111.22(9) . 2_665
O7 Au2 Ag1 83.7(3) . .
P2 Au2 Ag1 87.86(10) . .
Au3 Au2 Ag1 141.75(3) 2_665 .
O7 Au2 Au1 43.0(2) . .
P2 Au2 Au1 132.26(9) . .
Au3 Au2 Au1 116.22(2) 2_665 .
Ag1 Au2 Au1 57.60(3) . .
O7 Au2 Au3 43.3(3) . .
P2 Au2 Au3 129.36(11) . .
Au3 Au2 Au3 86.48(2) 2_665 .
Ag1 Au2 Au3 56.88(2) . .
Au1 Au2 Au3 60.340(18) . .
O7 Au3 P3 174.2(2) . .
O7 Au3 Ag1 87.8(2) . .
P3 Au3 Ag1 86.41(8) . .
O7 Au3 Au2 79.8(2) . 2_665
P3 Au3 Au2 105.27(8) . 2_665
Ag1 Au3 Au2 152.30(3) . 2_665
O7 Au3 Au2 44.5(2) . .
P3 Au3 Au2 131.29(8) . .
Ag1 Au3 Au2 61.06(3) . .
Au2 Au3 Au2 93.52(2) 2_665 .
O7 Au3 Au1 42.5(2) . .
P3 Au3 Au1 133.47(8) . .
Ag1 Au3 Au1 58.65(3) . .
Au2 Au3 Au1 119.98(3) 2_665 .
Au2 Au3 Au1 59.584(18) . .
N2 Ag1 N3 103.6(4) . .
N2 Ag1 N1 98.8(4) . .
N3 Ag1 N1 108.4(4) . .
N2 Ag1 Au3 139.5(3) . .
N3 Ag1 Au3 85.1(2) . .
N1 Ag1 Au3 116.1(2) . .
N2 Ag1 Au1 103.5(3) . .
N3 Ag1 Au1 148.3(2) . .
N1 Ag1 Au1 83.3(3) . .
Au3 Ag1 Au1 63.53(3) . .
N2 Ag1 Au2 77.9(3) . .
N3 Ag1 Au2 109.2(3) . .
N1 Ag1 Au2 142.0(3) . .
Au3 Ag1 Au2 62.06(3) . .
Au1 Ag1 Au2 61.43(3) . .
C120 P1 C130 104.9(7) . .
C120 P1 C110 109.3(7) . .
C130 P1 C110 103.6(6) . .
C120 P1 Au1 113.7(4) . .
C130 P1 Au1 113.5(4) . .
C110 P1 Au1 111.3(5) . .
C210 P2 C220 108.0(6) . .
C210 P2 C230 101.9(6) . .
C220 P2 C230 105.9(6) . .
C210 P2 Au2 118.4(5) . .
C220 P2 Au2 112.7(4) . .
C230 P2 Au2 108.7(4) . .
C320 P3 C310 109.5(6) . .
C320 P3 C330 102.7(6) . .
C310 P3 C330 103.9(6) . .
C320 P3 Au3 114.7(5) . .
C310 P3 Au3 113.5(5) . .
C330 P3 Au3 111.5(5) . .
F3 B1 F4 112.0(13) . .
F3 B1 F2 111.7(15) . .
F4 B1 F2 107.9(14) . .
F3 B1 F1 108.3(13) . .
F4 B1 F1 111.3(14) . .
F2 B1 F1 105.4(13) . .
F5 B2 F6 110.6(11) . .
F5 B2 F7 108.7(12) . .
F6 B2 F7 111.8(12) . .
F5 B2 F8 108.7(14) . .
F6 B2 F8 108.8(13) . .
F7 B2 F8 108.4(12) . .
C135 O1 C137 111.2(13) . .
C135 O2 C136 112.2(12) . .
C235 O3 C237 110.8(12) . .
C235 O4 C236 114.5(13) . .
C335 O5 C337 113.9(11) . .
C335 O6 C336 115.2(11) . .
Au1 O7 Au3 94.5(4) . .
Au1 O7 Au2 92.3(3) . .
Au3 O7 Au2 92.2(4) . .
C134 N1 C130 120.1(12) . .
C134 N1 Ag1 115.4(9) . .
C130 N1 Ag1 122.5(10) . .
C234 N2 C230 116.5(11) . .
C234 N2 Ag1 112.8(9) . .
C230 N2 Ag1 130.5(8) . .
C334 N3 C330 118.2(11) . .
C334 N3 Ag1 117.6(8) . .
C330 N3 Ag1 124.1(8) . .
C111 C110 C115 120.1(12) . .
C111 C110 P1 117.3(10) . .
C115 C110 P1 121.7(11) . .
C110 C111 C112 118.3(12) . .
C113 C112 C111 121.8(14) . .
C114 C113 C112 118.2(14) . .
C113 C114 C115 123.0(14) . .
C114 C115 C110 118.5(14) . .
C121 C120 C125 116.3(14) . .
C121 C120 P1 122.5(13) . .
C125 C120 P1 120.2(11) . .
C120 C121 C122 122.6(17) . .
C123 C122 C121 118.8(18) . .
C124 C123 C122 121.5(15) . .
C123 C124 C125 119.5(17) . .
C124 C125 C120 121.1(17) . .
N1 C130 C131 117.1(14) . .
N1 C130 P1 119.9(10) . .
C131 C130 P1 123.0(12) . .
C132 C131 C130 122.9(14) . .
C131 C132 C133 119.8(13) . .
C134 C133 C132 116.7(14) . .
C134 C133 C135 124.0(15) . .
C132 C133 C135 119.3(14) . .
N1 C134 C133 123.3(14) . .
O1 C135 O2 115.4(14) . .
O1 C135 C133 113.2(14) . .
O2 C135 C133 108.5(13) . .
C211 C210 C215 116.6(14) . .
C211 C210 P2 123.7(12) . .
C215 C210 P2 119.7(10) . .
C210 C211 C212 120.1(14) . .
C213 C212 C211 121.3(14) . .
C212 C213 C214 120.5(15) . .
C213 C214 C215 117.4(15) . .
C214 C215 C210 124.0(14) . .
C221 C220 C225 118.7(13) . .
C221 C220 P2 121.7(10) . .
C225 C220 P2 119.5(10) . .
C222 C221 C220 119.8(13) . .
C221 C222 C223 121.7(13) . .
C224 C223 C222 119.0(14) . .
C223 C224 C225 121.3(13) . .
C224 C225 C220 119.4(12) . .
N2 C230 C231 122.8(12) . .
N2 C230 P2 115.0(9) . .
C231 C230 P2 122.1(10) . .
C232 C231 C230 117.8(13) . .
C233 C232 C231 119.7(13) . .
C232 C233 C234 117.5(13) . .
C232 C233 C235 121.1(12) . .
C234 C233 C235 121.2(13) . .
N2 C234 C233 125.2(14) . .
O3 C235 O4 115.5(14) . .
O3 C235 C233 106.5(11) . .
O4 C235 C233 110.2(14) . .
C311 C310 C315 120.9(11) . .
C311 C310 P3 123.1(10) . .
C315 C310 P3 115.5(9) . .
C312 C311 C310 119.8(14) . .
C311 C312 C313 119.0(13) . .
C314 C313 C312 121.4(13) . .
C313 C314 C315 120.5(14) . .
C310 C315 C314 118.3(13) . .
C321 C320 C325 119.6(13) . .
C321 C320 P3 122.7(10) . .
C325 C320 P3 117.7(12) . .
C320 C321 C322 122.0(13) . .
C323 C322 C321 117.3(15) . .
C324 C323 C322 122.4(15) . .
C323 C324 C325 119.9(15) . .
C320 C325 C324 118.6(16) . .
N3 C330 C331 119.9(11) . .
N3 C330 P3 115.6(10) . .
C331 C330 P3 124.4(10) . .
C332 C331 C330 120.3(13) . .
C331 C332 C333 119.1(14) . .
C334 C333 C332 119.0(11) . .
C334 C333 C335 119.2(11) . .
C332 C333 C335 121.8(13) . .
N3 C334 C333 123.3(11) . .
O5 C335 O6 111.0(11) . .
O5 C335 C333 107.7(11) . .
O6 C335 C333 112.2(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 O7 2.032(8) .
Au1 P1 2.218(3) .
Au1 Ag1 2.8614(12) .
Au1 Au2 2.9764(7) .
Au1 Au3 2.9992(8) .
Au2 O7 2.097(8) .
Au2 P2 2.238(3) .
Au2 Au3 2.9555(7) 2_665
Au2 Ag1 2.9632(13) .
Au2 Au3 2.9912(8) .
Au3 O7 2.053(9) .
Au3 P3 2.232(4) .
Au3 Ag1 2.8358(10) .
Au3 Au2 2.9555(7) 2_665
Ag1 N2 2.324(10) .
Ag1 N3 2.332(11) .
Ag1 N1 2.373(10) .
P1 C120 1.784(14) .
P1 C130 1.798(16) .
P1 C110 1.815(14) .
P2 C210 1.789(14) .
P2 C220 1.799(14) .
P2 C230 1.837(12) .
P3 C320 1.819(13) .
P3 C310 1.829(11) .
P3 C330 1.829(12) .
B1 F3 1.344(15) .
B1 F4 1.374(15) .
B1 F2 1.389(16) .
B1 F1 1.404(17) .
B2 F5 1.335(14) .
B2 F6 1.361(14) .
B2 F7 1.364(15) .
B2 F8 1.386(15) .
O1 C135 1.374(19) .
O1 C137 1.48(2) .
O2 C135 1.41(2) .
O2 C136 1.448(19) .
O3 C235 1.386(18) .
O3 C237 1.455(17) .
O4 C235 1.391(18) .
O4 C236 1.41(2) .
O5 C335 1.412(17) .
O5 C337 1.455(16) .
O6 C335 1.445(15) .
O6 C336 1.456(18) .
N1 C134 1.334(18) .
N1 C130 1.391(18) .
N2 C234 1.335(16) .
N2 C230 1.352(16) .
N3 C334 1.333(15) .
N3 C330 1.378(15) .
C110 C111 1.378(19) .
C110 C115 1.406(17) .
C111 C112 1.427(19) .
C112 C113 1.380(19) .
C113 C114 1.34(2) .
C114 C115 1.404(19) .
C120 C121 1.33(2) .
C120 C125 1.44(2) .
C121 C122 1.40(2) .
C122 C123 1.37(2) .
C123 C124 1.33(2) .
C124 C125 1.38(2) .
C130 C131 1.397(18) .
C131 C132 1.34(2) .
C132 C133 1.40(2) .
C133 C134 1.397(19) .
C133 C135 1.50(2) .
C210 C211 1.379(18) .
C210 C215 1.40(2) .
C211 C212 1.40(2) .
C212 C213 1.37(2) .
C213 C214 1.37(2) .
C214 C215 1.39(2) .
C220 C221 1.394(18) .
C220 C225 1.409(17) .
C221 C222 1.36(2) .
C222 C223 1.375(19) .
C223 C224 1.365(19) .
C224 C225 1.38(2) .
C230 C231 1.397(16) .
C231 C232 1.396(19) .
C232 C233 1.38(2) .
C233 C234 1.378(17) .
C233 C235 1.545(19) .
C310 C311 1.386(17) .
C310 C315 1.403(19) .
C311 C312 1.382(17) .
C312 C313 1.42(2) .
C313 C314 1.341(19) .
C314 C315 1.409(17) .
C320 C321 1.386(19) .
C320 C325 1.388(19) .
C321 C322 1.388(19) .
C322 C323 1.38(2) .
C323 C324 1.36(2) .
C324 C325 1.41(2) .
C330 C331 1.388(19) .
C331 C332 1.345(17) .
C332 C333 1.390(17) .
C333 C334 1.344(18) .
C333 C335 1.535(17) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168333286
