#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:07:06 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179012 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/10/4121023.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_4121023
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            'C157 H138 Ag2 Au6 B4 F16 N12 P6'
_chemical_formula_weight         4123.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           155
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            6
_cell_length_a                   21.5216(14)
_cell_length_b                   21.5216(14)
_cell_length_c                   68.567(4)
_cell_measurement_reflns_used    21460
_cell_measurement_temperature    100(2)
_cell_volume                     27504(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.975
_diffrn_measured_fraction_theta_max 0.975
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) x-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       83
_diffrn_reflns_limit_l_min       -79
_diffrn_reflns_number            33350
_diffrn_reflns_theta_full        74.66
_diffrn_reflns_theta_max         74.66
_diffrn_reflns_theta_min         3.50
_exptl_absorpt_coefficient_mu    11.464
_exptl_absorpt_correction_T_max  0.3935
_exptl_absorpt_correction_T_min  0.2782
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
CrysAlisPro, Agilent Technologies,
Version 1.171.36.20 (release 27-06-2012 CrysAlis171 .NET)
(compiled Jul 11 2012,15:38:31)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.494
_exptl_crystal_description       block-like
_exptl_crystal_F_000             11916
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.948
_refine_diff_density_min         -2.362
_refine_diff_density_rms         0.295
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.153
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     524
_refine_ls_number_reflns         11920
_refine_ls_number_restraints     59
_refine_ls_restrained_S_all      1.151
_refine_ls_R_factor_all          0.1231
_refine_ls_R_factor_gt           0.0901
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1222P)²+1619.1425P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2504
_refine_ls_wR_factor_ref         0.2833
_reflns_number_gt                9282
_reflns_number_total             11920
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja4075419_si_002_5.cif
_cod_data_source_block           4b
_cod_original_sg_symbol_H-M      'R 3 2'
_cod_database_code               4121023
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -y, -z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
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 0.57943(5) 0.30857(5) 0.073996(9) 0.0559(3) Uani 1 1 d .
Au2 Au 0.58351(5) 0.32068(5) 0.034120(9) 0.0585(3) Uani 1 1 d .
Ag1 Ag 0.6667 0.3333 0.10861(3) 0.0634(8) Uani 1 3 d S
Ag2 Ag 0.6667 0.3333 -0.00001(3) 0.0606(7) Uani 1 3 d S
P1 P 0.4878(3) 0.2774(4) 0.09515(7) 0.0596(14) Uani 1 1 d .
P2 P 0.5006(4) 0.3117(4) 0.01227(7) 0.0652(16) Uani 1 1 d .
B1 B 0.4566(10) 0.0760(10) 0.0605(3) 0.092(10) Uiso 1 1 d D
B2 B 0.6667 0.3333 0.1852(7) 0.21(6) Uiso 1 3 d SD
F1 F 0.5090(8) 0.1375(7) 0.0521(2) 0.094(5) Uiso 1 1 d D
F2 F 0.4782(8) 0.0273(7) 0.0637(2) 0.077(4) Uiso 1 1 d D
F3 F 0.3950(8) 0.0475(9) 0.0496(3) 0.107(6) Uiso 1 1 d D
F4 F 0.4432(10) 0.0964(10) 0.0786(2) 0.118(6) Uiso 1 1 d D
F5 F 0.6667 0.3333 0.1655(7) 0.41(7) Uiso 1 3 d SD
F6 F 0.629(2) 0.2654(14) 0.1922(4) 0.196(12) Uiso 1 1 d D
N1 N 0.5570(9) 0.2470(8) 0.12194(17) 0.043(4) Uani 1 1 d .
N2 N 0.468(2) 0.0674(15) 0.1719(3) 0.107(9) Uani 1 1 d U
N3 N 0.5995(11) 0.3773(11) -0.0151(2) 0.065(5) Uani 1 1 d .
N4 N 0.6749(12) 0.4821(17) -0.0677(3) 0.100(9) Uani 1 1 d .
C1 C 0.6667 0.3333 0.0531(6) 0.066(10) Uiso 1 3 d S
C110 C 0.4008(6) 0.2295(8) 0.08384(17) 0.059(6) Uani 1 1 d G
C111 C 0.3971(7) 0.1990(9) 0.06570(18) 0.068(6) Uani 1 1 d G
H11A H 0.4383 0.2029 0.0601 0.081 Uiso 1 1 calc R
C112 C 0.3319(9) 0.1628(9) 0.05592(17) 0.075(7) Uani 1 1 d G
H11B H 0.3295 0.1424 0.0438 0.090 Uiso 1 1 calc R
C113 C 0.2704(7) 0.1570(9) 0.0643(2) 0.082(8) Uani 1 1 d G
H11C H 0.2268 0.1328 0.0578 0.099 Uiso 1 1 calc R
C114 C 0.2741(7) 0.1875(10) 0.0824(2) 0.079(7) Uani 1 1 d G
H11D H 0.2330 0.1836 0.0880 0.095 Uiso 1 1 calc R
C115 C 0.3393(8) 0.2237(9) 0.09221(16) 0.066(6) Uani 1 1 d G
H11E H 0.3418 0.2441 0.1044 0.080 Uiso 1 1 calc R
C120 C 0.4881(14) 0.3514(13) 0.1085(3) 0.057(5) Uani 1 1 d .
C121 C 0.5209(14) 0.4173(15) 0.0996(3) 0.066(6) Uani 1 1 d .
H12A H 0.5454 0.4252 0.0879 0.079 Uiso 1 1 calc R
C122 C 0.5157(14) 0.4695(18) 0.1088(3) 0.073(7) Uani 1 1 d .
H12B H 0.5351 0.5136 0.1025 0.088 Uiso 1 1 calc R
C123 C 0.4842(17) 0.4637(19) 0.1266(4) 0.083(8) Uani 1 1 d .
H12C H 0.4832 0.5022 0.1324 0.099 Uiso 1 1 calc R
C124 C 0.4539(17) 0.3965(18) 0.1355(4) 0.082(8) Uani 1 1 d .
H12E H 0.4333 0.3906 0.1478 0.098 Uiso 1 1 calc R
C125 C 0.4534(15) 0.3389(16) 0.1268(3) 0.074(7) Uani 1 1 d .
H12F H 0.4313 0.2938 0.1326 0.088 Uiso 1 1 calc R
C130 C 0.4895(16) 0.2228(15) 0.1149(3) 0.067(7) Uani 1 1 d .
C131 C 0.4286(15) 0.1627(13) 0.1225(3) 0.065(6) Uani 1 1 d .
H13A H 0.3833 0.1453 0.1171 0.078 Uiso 1 1 calc R
C132 C 0.4403(17) 0.1300(15) 0.1389(3) 0.076(8) Uani 1 1 d .
H13B H 0.4013 0.0890 0.1440 0.091 Uiso 1 1 calc R
C133 C 0.5017(16) 0.1534(14) 0.1472(3) 0.065(6) Uani 1 1 d .
C134 C 0.5623(13) 0.2128(12) 0.1377(3) 0.060(5) Uani 1 1 d .
H13C H 0.6078 0.2282 0.1427 0.072 Uiso 1 1 calc R
C135 C 0.5173(16) 0.1210(14) 0.1636(3) 0.068(6) Uani 1 1 d .
H13D H 0.5642 0.1404 0.1681 0.082 Uiso 1 1 calc R
C140 C 0.476(4) -0.030(3) 0.1870(5) 0.20(3) Uani 1 1 d .
H14A H 0.4976 -0.0349 0.1753 0.301 Uiso 1 1 calc R
H14B H 0.4248 -0.0622 0.1864 0.301 Uiso 1 1 calc R
H14C H 0.4950 -0.0420 0.1981 0.301 Uiso 1 1 calc R
C141 C 0.490(2) 0.041(2) 0.1887(4) 0.112(9) Uani 1 1 d U
H14D H 0.5419 0.0711 0.1902 0.134 Uiso 1 1 calc R
C142 C 0.4541(10) 0.0524(9) 0.20732(15) 0.098(8) Uani 1 1 d GU
C143 C 0.4922(9) 0.1105(10) 0.21971(15) 0.118(11) Uani 1 1 d GU
H14E H 0.5396 0.1442 0.2169 0.141 Uiso 1 1 calc R
C144 C 0.4593(10) 0.1181(9) 0.23627(14) 0.122(13) Uani 1 1 d G
H14F H 0.4848 0.1570 0.2446 0.146 Uiso 1 1 calc R
C145 C 0.3884(10) 0.0677(10) 0.24043(15) 0.088(9) Uani 1 1 d G
H14G H 0.3664 0.0728 0.2515 0.105 Uiso 1 1 calc R
C146 C 0.3504(9) 0.0096(10) 0.22803(17) 0.108(12) Uani 1 1 d G
H14H H 0.3029 -0.0242 0.2308 0.129 Uiso 1 1 calc R
C147 C 0.3832(10) 0.0019(8) 0.21148(17) 0.118(13) Uani 1 1 d G
H14I H 0.3578 -0.0369 0.2032 0.141 Uiso 1 1 calc R
C210 C 0.4324(7) 0.3235(8) 0.02348(12) 0.060(6) Uani 1 1 d G
C211 C 0.3610(8) 0.2868(7) 0.01766(12) 0.077(8) Uani 1 1 d G
H21A H 0.3472 0.2563 0.0069 0.092 Uiso 1 1 calc R
C212 C 0.3101(6) 0.2957(8) 0.02786(14) 0.078(8) Uani 1 1 d G
H21B H 0.2624 0.2712 0.0240 0.093 Uiso 1 1 calc R
C213 C 0.3308(8) 0.3413(8) 0.04389(13) 0.073(7) Uani 1 1 d G
H21C H 0.2968 0.3473 0.0507 0.087 Uiso 1 1 calc R
C214 C 0.4022(8) 0.3780(6) 0.04972(12) 0.079(8) Uani 1 1 d G
H21D H 0.4160 0.4085 0.0604 0.095 Uiso 1 1 calc R
C215 C 0.4530(6) 0.3691(7) 0.03951(13) 0.077(8) Uani 1 1 d G
H21E H 0.5008 0.3936 0.0434 0.093 Uiso 1 1 calc R
C220 C 0.459(2) 0.2283(14) -0.0010(3) 0.099(12) Uani 1 1 d .
C221 C 0.4238(17) 0.2148(19) -0.0197(3) 0.084(8) Uani 1 1 d .
H22A H 0.4275 0.2549 -0.0259 0.101 Uiso 1 1 calc R
C222 C 0.389(2) 0.157(2) -0.0285(4) 0.109(12) Uani 1 1 d .
H22B H 0.3699 0.1544 -0.0409 0.130 Uiso 1 1 calc R
C223 C 0.382(3) 0.102(3) -0.0194(5) 0.15(2) Uani 1 1 d .
H22C H 0.3501 0.0567 -0.0246 0.177 Uiso 1 1 calc R
C224 C 0.420(3) 0.104(2) -0.0014(4) 0.119(15) Uani 1 1 d .
H22D H 0.4216 0.0642 0.0032 0.143 Uiso 1 1 calc R
C225 C 0.4523(18) 0.1691(18) 0.0084(3) 0.086(9) Uani 1 1 d .
H22E H 0.4692 0.1725 0.0210 0.103 Uiso 1 1 calc R
C230 C 0.5420(14) 0.3785(17) -0.0074(3) 0.072(7) Uani 1 1 d U
C231 C 0.5148(16) 0.4216(19) -0.0135(4) 0.094(8) Uani 1 1 d U
H23A H 0.4781 0.4235 -0.0069 0.113 Uiso 1 1 calc R
C232 C 0.5460(17) 0.463(2) -0.0306(4) 0.109(9) Uani 1 1 d U
H23B H 0.5290 0.4911 -0.0358 0.131 Uiso 1 1 calc R
C233 C 0.6051(15) 0.459(2) -0.0398(4) 0.098(9) Uani 1 1 d U
C234 C 0.6300(17) 0.4177(18) -0.0311(3) 0.087(9) Uani 1 1 d .
H29F H 0.6695 0.4176 -0.0366 0.104 Uiso 1 1 calc R
C235 C 0.6353(16) 0.496(2) -0.0576(4) 0.109(14) Uani 1 1 d .
H23E H 0.6253 0.5309 -0.0617 0.131 Uiso 1 1 calc R
C240 C 0.666(2) 0.481(3) -0.1029(4) 0.17(3) Uani 1 1 d .
H24A H 0.6161 0.4655 -0.1010 0.261 Uiso 1 1 calc R
H24B H 0.6716 0.4393 -0.1039 0.261 Uiso 1 1 calc R
H24C H 0.6827 0.5085 -0.1147 0.261 Uiso 1 1 calc R
C241 C 0.7076(17) 0.524(3) -0.0863(4) 0.127(17) Uani 1 1 d .
H24D H 0.7011 0.5664 -0.0859 0.152 Uiso 1 1 calc R
C242 C 0.7854(8) 0.5517(12) -0.0866(2) 0.085(9) Uani 1 1 d G
C243 C 0.8125(10) 0.5055(9) -0.0842(3) 0.108(12) Uani 1 1 d G
H24E H 0.7819 0.4578 -0.0808 0.129 Uiso 1 1 calc R
C244 C 0.8852(11) 0.5305(11) -0.0870(3) 0.088(8) Uani 1 1 d G
H24F H 0.9033 0.4996 -0.0854 0.106 Uiso 1 1 calc R
C245 C 0.9309(8) 0.6017(12) -0.0921(3) 0.094(10) Uani 1 1 d G
H24G H 0.9795 0.6184 -0.0939 0.113 Uiso 1 1 calc R
C246 C 0.9038(10) 0.6479(9) -0.0945(3) 0.105(12) Uani 1 1 d G
H24H H 0.9344 0.6955 -0.0979 0.126 Uiso 1 1 calc R
C247 C 0.8311(11) 0.6229(11) -0.0917(3) 0.107(12) Uani 1 1 d G
H24I H 0.8130 0.6538 -0.0933 0.128 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 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag 0.1306 4.2820 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 '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 177.2(3) . .
C1 Au1 Au2 49.2(8) . .
P1 Au1 Au2 130.46(14) . .
C1 Au1 Au1 48.8(6) . 2_655
P1 Au1 Au1 129.73(16) . 2_655
Au2 Au1 Au1 92.00(3) . 2_655
C1 Au1 Au1 48.8(6) . 3_665
P1 Au1 Au1 133.41(16) . 3_665
Au2 Au1 Au1 87.22(3) . 3_665
Au1 Au1 Au1 60.0 2_655 3_665
C1 Au1 Ag1 95.3(8) . .
P1 Au1 Ag1 85.29(14) . .
Au2 Au1 Ag1 144.05(5) . .
Au1 Au1 Ag1 60.03(2) 2_655 .
Au1 Au1 Ag1 60.03(2) 3_665 .
C1 Au2 P2 176.0(8) . .
C1 Au2 Au1 52.0(9) . .
P2 Au2 Au1 131.69(15) . .
C1 Au2 Ag2 92.4(9) . .
P2 Au2 Ag2 84.05(15) . .
Au1 Au2 Ag2 143.99(5) . .
C1 Au2 Au2 46.9(7) . 3_665
P2 Au2 Au2 129.23(16) . 3_665
Au1 Au2 Au2 92.21(3) . 3_665
Ag2 Au2 Au2 59.79(2) . 3_665
C1 Au2 Au2 46.9(7) . 2_655
P2 Au2 Au2 131.66(18) . 2_655
Au1 Au2 Au2 87.42(3) . 2_655
Ag2 Au2 Au2 59.79(2) . 2_655
Au2 Au2 Au2 60.0 3_665 2_655
N1 Ag1 N1 105.7(3) 2_655 .
N1 Ag1 N1 105.7(3) 2_655 3_665
N1 Ag1 N1 105.7(3) . 3_665
N1 Ag1 Au1 82.6(3) 2_655 2_655
N1 Ag1 Au1 107.3(3) . 2_655
N1 Ag1 Au1 142.1(3) 3_665 2_655
N1 Ag1 Au1 142.1(3) 2_655 .
N1 Ag1 Au1 82.6(3) . .
N1 Ag1 Au1 107.3(3) 3_665 .
Au1 Ag1 Au1 59.93(5) 2_655 .
N1 Ag1 Au1 107.3(3) 2_655 3_665
N1 Ag1 Au1 142.1(3) . 3_665
N1 Ag1 Au1 82.6(3) 3_665 3_665
Au1 Ag1 Au1 59.93(5) 2_655 3_665
Au1 Ag1 Au1 59.93(5) . 3_665
N3 Ag2 N3 101.7(5) 2_655 3_665
N3 Ag2 N3 101.7(5) 2_655 .
N3 Ag2 N3 101.7(5) 3_665 .
N3 Ag2 Au2 85.2(4) 2_655 2_655
N3 Ag2 Au2 110.5(5) 3_665 2_655
N3 Ag2 Au2 144.9(4) . 2_655
N3 Ag2 Au2 144.9(4) 2_655 3_665
N3 Ag2 Au2 85.2(4) 3_665 3_665
N3 Ag2 Au2 110.5(5) . 3_665
Au2 Ag2 Au2 60.41(5) 2_655 3_665
N3 Ag2 Au2 110.5(5) 2_655 .
N3 Ag2 Au2 144.9(4) 3_665 .
N3 Ag2 Au2 85.2(4) . .
Au2 Ag2 Au2 60.41(5) 2_655 .
Au2 Ag2 Au2 60.41(5) 3_665 .
C110 P1 C130 107.7(11) . .
C110 P1 C120 105.2(10) . .
C130 P1 C120 101.3(9) . .
C110 P1 Au1 113.4(5) . .
C130 P1 Au1 112.2(9) . .
C120 P1 Au1 116.0(9) . .
C210 P2 C220 109.1(14) . .
C210 P2 C230 108.4(9) . .
C220 P2 C230 102.3(11) . .
C210 P2 Au2 111.9(4) . .
C220 P2 Au2 113.3(12) . .
C230 P2 Au2 111.3(9) . .
F2 B1 F1 112.3(15) . .
F2 B1 F3 111.6(15) . .
F1 B1 F3 110.4(15) . .
F2 B1 F4 107.8(15) . .
F1 B1 F4 105.7(14) . .
F3 B1 F4 108.7(15) . .
F5 B2 F6 110.7(19) . 2_655
F5 B2 F6 110.7(19) . .
F6 B2 F6 108(2) 2_655 .
F5 B2 F6 110.7(19) . 3_665
F6 B2 F6 108(2) 2_655 3_665
F6 B2 F6 108(2) . 3_665
C134 N1 C130 116.1(19) . .
C134 N1 Ag1 114.9(14) . .
C130 N1 Ag1 128.7(13) . .
C135 N2 C141 116(3) . .
C234 N3 C230 117(2) . .
C234 N3 Ag2 115.0(18) . .
C230 N3 Ag2 126.2(12) . .
C235 N4 C241 120(3) . .
Au2 C1 Au2 86.2(13) 2_655 3_665
Au2 C1 Au2 86.2(13) 2_655 .
Au2 C1 Au2 86.2(13) 3_665 .
Au2 C1 Au1 78.78(8) 2_655 2_655
Au2 C1 Au1 128.70(11) 3_665 2_655
Au2 C1 Au1 140.13(14) . 2_655
Au2 C1 Au1 140.13(14) 2_655 3_665
Au2 C1 Au1 78.78(8) 3_665 3_665
Au2 C1 Au1 128.70(11) . 3_665
Au1 C1 Au1 82.3(12) 2_655 3_665
Au2 C1 Au1 128.70(11) 2_655 .
Au2 C1 Au1 140.13(14) 3_665 .
Au2 C1 Au1 78.78(8) . .
Au1 C1 Au1 82.3(12) 2_655 .
Au1 C1 Au1 82.3(12) 3_665 .
C111 C110 C115 120.0 . .
C111 C110 P1 117.0(9) . .
C115 C110 P1 123.0(9) . .
C112 C111 C110 120.0 . .
C112 C111 H11A 120.0 . .
C110 C111 H11A 120.0 . .
C113 C112 C111 120.0 . .
C113 C112 H11B 120.0 . .
C111 C112 H11B 120.0 . .
C114 C113 C112 120.0 . .
C114 C113 H11C 120.0 . .
C112 C113 H11C 120.0 . .
C113 C114 C115 120.0 . .
C113 C114 H11D 120.0 . .
C115 C114 H11D 120.0 . .
C114 C115 C110 120.0 . .
C114 C115 H11E 120.0 . .
C110 C115 H11E 120.0 . .
C121 C120 C125 123(2) . .
C121 C120 P1 116.8(16) . .
C125 C120 P1 120(2) . .
C122 C121 C120 116(2) . .
C122 C121 H12A 121.9 . .
C120 C121 H12A 121.9 . .
C121 C122 C123 126(3) . .
C121 C122 H12B 117.1 . .
C123 C122 H12B 117.1 . .
C122 C123 C124 116(3) . .
C122 C123 H12C 122.0 . .
C124 C123 H12C 122.0 . .
C125 C124 C123 122(2) . .
C125 C124 H12E 118.8 . .
C123 C124 H12E 118.8 . .
C124 C125 C120 117(3) . .
C124 C125 H12F 121.7 . .
C120 C125 H12F 121.7 . .
N1 C130 C131 123(2) . .
N1 C130 P1 112.4(19) . .
C131 C130 P1 124(2) . .
C130 C131 C132 116(2) . .
C130 C131 H13A 122.0 . .
C132 C131 H13A 122.0 . .
C133 C132 C131 124(3) . .
C133 C132 H13B 118.0 . .
C131 C132 H13B 118.0 . .
C132 C133 C134 116(2) . .
C132 C133 C135 126(3) . .
C134 C133 C135 117(2) . .
N1 C134 C133 124(2) . .
N1 C134 H13C 117.9 . .
C133 C134 H13C 117.9 . .
N2 C135 C133 120(3) . .
N2 C135 H13D 119.8 . .
C133 C135 H13D 119.8 . .
C141 C140 H14A 109.5 . .
C141 C140 H14B 109.5 . .
H14A C140 H14B 109.5 . .
C141 C140 H14C 109.5 . .
H14A C140 H14C 109.5 . .
H14B C140 H14C 109.5 . .
C140 C141 N2 115(3) . .
C140 C141 C142 113(3) . .
N2 C141 C142 107(3) . .
C140 C141 H14D 107.1 . .
N2 C141 H14D 107.1 . .
C142 C141 H14D 107.1 . .
C143 C142 C147 120.0 . .
C143 C142 C141 122(2) . .
C147 C142 C141 118(2) . .
C142 C143 C144 120.0 . .
C142 C143 H14E 120.0 . .
C144 C143 H14E 120.0 . .
C145 C144 C143 120.0 . .
C145 C144 H14F 120.0 . .
C143 C144 H14F 120.0 . .
C144 C145 C146 120.0 . .
C144 C145 H14G 120.0 . .
C146 C145 H14G 120.0 . .
C147 C146 C145 120.0 . .
C147 C146 H14H 120.0 . .
C145 C146 H14H 120.0 . .
C146 C147 C142 120.0 . .
C146 C147 H14I 120.0 . .
C142 C147 H14I 120.0 . .
C211 C210 C215 120.0 . .
C211 C210 P2 123.4(8) . .
C215 C210 P2 116.5(8) . .
C212 C211 C210 120.0 . .
C212 C211 H21A 120.0 . .
C210 C211 H21A 120.0 . .
C211 C212 C213 120.0 . .
C211 C212 H21B 120.0 . .
C213 C212 H21B 120.0 . .
C214 C213 C212 120.0 . .
C214 C213 H21C 120.0 . .
C212 C213 H21C 120.0 . .
C215 C214 C213 120.0 . .
C215 C214 H21D 120.0 . .
C213 C214 H21D 120.0 . .
C214 C215 C210 120.0 . .
C214 C215 H21E 120.0 . .
C210 C215 H21E 120.0 . .
C225 C220 C221 115(3) . .
C225 C220 P2 117.4(19) . .
C221 C220 P2 127(2) . .
C222 C221 C220 129(3) . .
C222 C221 H22A 115.5 . .
C220 C221 H22A 115.5 . .
C221 C222 C223 115(3) . .
C221 C222 H22B 122.5 . .
C223 C222 H22B 122.5 . .
C222 C223 C224 125(4) . .
C222 C223 H22C 117.6 . .
C224 C223 H22C 117.6 . .
C225 C224 C223 116(4) . .
C225 C224 H22D 122.2 . .
C223 C224 H22D 122.2 . .
C220 C225 C224 119(3) . .
C220 C225 H22E 120.7 . .
C224 C225 H22E 120.7 . .
N3 C230 C231 126(2) . .
N3 C230 P2 111.1(16) . .
C231 C230 P2 122.9(17) . .
C230 C231 C232 116(3) . .
C230 C231 H23A 122.0 . .
C232 C231 H23A 122.0 . .
C231 C232 C233 119(3) . .
C231 C232 H23B 120.4 . .
C233 C232 H23B 120.4 . .
C234 C233 C235 120(3) . .
C234 C233 C232 118(2) . .
C235 C233 C232 121(3) . .
N3 C234 C233 123(3) . .
N3 C234 H29F 118.5 . .
C233 C234 H29F 118.5 . .
N4 C235 C233 122(3) . .
N4 C235 H23E 118.9 . .
C233 C235 H23E 118.9 . .
C241 C240 H24A 109.5 . .
C241 C240 H24B 109.5 . .
H24A C240 H24B 109.5 . .
C241 C240 H24C 109.5 . .
H24A C240 H24C 109.5 . .
H24B C240 H24C 109.5 . .
C240 C241 C242 117(3) . .
C240 C241 N4 108(3) . .
C242 C241 N4 110.1(19) . .
C240 C241 H24D 107.0 . .
C242 C241 H24D 107.0 . .
N4 C241 H24D 107.0 . .
C243 C242 C247 120.0 . .
C243 C242 C241 121(2) . .
C247 C242 C241 119(2) . .
C244 C243 C242 120.0 . .
C244 C243 H24E 120.0 . .
C242 C243 H24E 120.0 . .
C243 C244 C245 120.0 . .
C243 C244 H24F 120.0 . .
C245 C244 H24F 120.0 . .
C246 C245 C244 120.0 . .
C246 C245 H24G 120.0 . .
C244 C245 H24G 120.0 . .
C245 C246 C247 120.0 . .
C245 C246 H24H 120.0 . .
C247 C246 H24H 120.0 . .
C246 C247 C242 120.0 . .
C246 C247 H24I 120.0 . .
C242 C247 H24I 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.21(3) .
Au1 P1 2.262(6) .
Au1 Au2 2.7438(9) .
Au1 Au1 2.9026(17) 2_655
Au1 Au1 2.9027(17) 3_665
Au1 Ag1 2.906(2) .
Au2 C1 2.12(3) .
Au2 P2 2.263(6) .
Au2 Ag2 2.8752(18) .
Au2 Au2 2.8930(17) 3_665
Au2 Au2 2.8930(17) 2_655
Ag1 N1 2.339(16) 2_655
Ag1 N1 2.339(16) .
Ag1 N1 2.339(16) 3_665
Ag1 Au1 2.906(2) 2_655
Ag1 Au1 2.906(2) 3_665
Ag2 N3 2.328(19) 2_655
Ag2 N3 2.328(19) 3_665
Ag2 N3 2.328(19) .
Ag2 Au2 2.8752(18) 2_655
Ag2 Au2 2.8752(18) 3_665
P1 C110 1.800(12) .
P1 C130 1.81(2) .
P1 C120 1.84(2) .
P2 C210 1.783(13) .
P2 C220 1.80(3) .
P2 C230 1.84(2) .
B1 F2 1.360(17) .
B1 F1 1.365(17) .
B1 F3 1.369(17) .
B1 F4 1.392(17) .
B2 F5 1.35(2) .
B2 F6 1.358(16) 2_655
B2 F6 1.358(17) .
B2 F6 1.358(16) 3_665
N1 C134 1.34(2) .
N1 C130 1.36(3) .
N2 C135 1.24(4) .
N2 C141 1.47(4) .
N3 C234 1.35(3) .
N3 C230 1.36(3) .
N4 C235 1.24(4) .
N4 C241 1.52(3) .
C1 Au2 2.12(3) 2_655
C1 Au2 2.12(3) 3_665
C1 Au1 2.21(3) 2_655
C1 Au1 2.21(3) 3_665
C110 C111 1.3900 .
C110 C115 1.3900 .
C111 C112 1.3900 .
C111 H11A 0.9300 .
C112 C113 1.3900 .
C112 H11B 0.9300 .
C113 C114 1.3900 .
C113 H11C 0.9300 .
C114 C115 1.3900 .
C114 H11D 0.9300 .
C115 H11E 0.9300 .
C120 C121 1.37(3) .
C120 C125 1.41(3) .
C121 C122 1.34(4) .
C121 H12A 0.9300 .
C122 C123 1.37(3) .
C122 H12B 0.9300 .
C123 C124 1.39(4) .
C123 H12C 0.9300 .
C124 C125 1.37(4) .
C124 H12E 0.9300 .
C125 H12F 0.9300 .
C130 C131 1.40(4) .
C131 C132 1.42(3) .
C131 H13A 0.9300 .
C132 C133 1.29(4) .
C132 H13B 0.9300 .
C133 C134 1.45(4) .
C133 C135 1.45(3) .
C134 H13C 0.9300 .
C135 H13D 0.9300 .
C140 C141 1.40(6) .
C140 H14A 0.9600 .
C140 H14B 0.9600 .
C140 H14C 0.9600 .
C141 C142 1.58(3) .
C141 H14D 0.9800 .
C142 C143 1.3900 .
C142 C147 1.3900 .
C143 C144 1.3900 .
C143 H14E 0.9300 .
C144 C145 1.3900 .
C144 H14F 0.9300 .
C145 C146 1.3900 .
C145 H14G 0.9300 .
C146 C147 1.3900 .
C146 H14H 0.9300 .
C147 H14I 0.9300 .
C210 C211 1.3900 .
C210 C215 1.3900 .
C211 C212 1.3900 .
C211 H21A 0.9300 .
C212 C213 1.3900 .
C212 H21B 0.9300 .
C213 C214 1.3900 .
C213 H21C 0.9300 .
C214 C215 1.3900 .
C214 H21D 0.9300 .
C215 H21E 0.9300 .
C220 C225 1.37(4) .
C220 C221 1.44(4) .
C221 C222 1.24(4) .
C221 H22A 0.9300 .
C222 C223 1.29(6) .
C222 H22B 0.9300 .
C223 C224 1.47(5) .
C223 H22C 0.9300 .
C224 C225 1.39(4) .
C224 H22D 0.9300 .
C225 H22E 0.9300 .
C230 C231 1.39(4) .
C231 C232 1.41(3) .
C231 H23A 0.9300 .
C232 C233 1.45(4) .
C232 H23B 0.9300 .
C233 C234 1.39(4) .
C233 C235 1.42(3) .
C234 H29F 0.9300 .
C235 H23E 0.9300 .
C240 C241 1.47(6) .
C240 H24A 0.9600 .
C240 H24B 0.9600 .
C240 H24C 0.9600 .
C241 C242 1.47(3) .
C241 H24D 0.9800 .
C242 C243 1.3900 .
C242 C247 1.3900 .
C243 C244 1.3900 .
C243 H24E 0.9300 .
C244 C245 1.3900 .
C244 H24F 0.9300 .
C245 C246 1.3900 .
C245 H24G 0.9300 .
C246 C247 1.3900 .
C246 H24H 0.9300 .
C247 H24I 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
N2 C141 C142 C143 -99(3)
