#------------------------------------------------------------------------------
#$Date: 2021-10-06 15:46:28 +0200 (Wed 06 de Oct de 2021) $
#$Revision: 269613 $
#$URL: svn://www.crystallography.net/cod/cif/7/12/87/7128780.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_7128780
loop_
_publ_author_name
'Navarro, Miquel'
'Miranda-Pizarro, Juan'
'Moreno, Juan J.'
'Navarro-Gilabert, Carlos'
'Fernández, Israel'
'Campos, Jesús'
_publ_section_title
;
 A dicoordinate gold(I)-ethylene complex.
;
_journal_issue                   73
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              9280
_journal_page_last               9283
_journal_paper_doi               10.1039/d1cc02769g
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C121 H145 Ag4 Au2 Cl2 F24 P2 Sb4'
_chemical_formula_weight         3500.61
_space_group_crystal_system      orthorhombic
_space_group_IT_number           29
_space_group_name_Hall           'P 2c -2ac'
_space_group_name_H-M_alt        'P c a 21'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-04-19 deposited with the CCDC.	2021-08-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   26.3590(7)
_cell_length_b                   20.0663(6)
_cell_length_c                   26.8991(7)
_cell_measurement_reflns_used    9970
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.14
_cell_measurement_theta_min      2.39
_cell_volume                     14227.7(7)
_computing_cell_refinement       'Bruker APEX3'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker APEX3'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8Quest'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0684
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            105201
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.393
_diffrn_reflns_theta_min         1.980
_diffrn_source                   'IuS 3.0 Microfocus Source'
_exptl_absorpt_coefficient_mu    3.470
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5825
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_crystal_colour            neddle
_exptl_crystal_density_diffrn    1.634
_exptl_crystal_description       colorless
_exptl_crystal_F_000             6804
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.06
_platon_squeeze_details
;
The unit cell contains 14 pentane molecules which have
 been treated as a diffuse contribution to the overall scattering
 without specific atom positions by SQUEEZE/PLATON.'

;
_refine_diff_density_max         2.825
_refine_diff_density_min         -1.207
_refine_diff_density_rms         0.118
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.406(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1494
_refine_ls_number_reflns         27683
_refine_ls_number_restraints     467
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0740
_refine_ls_R_factor_gt           0.0459
_refine_ls_shift/su_max          0.050
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0556P)²+25.0930P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1094
_refine_ls_wR_factor_ref         0.1257
_reflns_Friedel_coverage         0.956
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     0.999
_reflns_number_gt                20183
_reflns_number_total             27683
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc02769g2.cif
_cod_data_source_block           jcm02321a_sq
_cod_depositor_comments
'Adding full bibliography for 7128779--7128784.cif.'
_cod_database_code               7128780
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.67640(7) 0.39188(8) 0.57712(5) 0.0716(4) Uani 1 1 d . . . . .
Ag2 Ag 0.67191(8) 0.61214(8) 0.57141(6) 0.0895(5) Uani 1 1 d . U . . .
Ag3 Ag 0.57213(6) -0.09982(7) 0.48441(5) 0.0642(4) Uani 1 1 d . . . . .
Ag4 Ag 0.56596(6) 0.12021(7) 0.46914(6) 0.0721(4) Uani 1 1 d . . . . .
Au1 Au 0.68761(2) 0.50605(2) 0.63733(2) 0.03753(14) Uani 1 1 d . . . . .
Au2 Au 0.55890(2) 0.00245(2) 0.41211(2) 0.03486(13) Uani 1 1 d . . . . .
C1 C 0.6091(5) 0.5864(6) 0.7208(4) 0.034(3) Uani 1 1 d . . . . .
C2 C 0.5615(5) 0.5851(7) 0.7420(6) 0.045(4) Uani 1 1 d . . . . .
H2 H 0.5464 0.5433 0.7494 0.054 Uiso 1 1 calc R U . . .
C3 C 0.5350(6) 0.6433(8) 0.7531(6) 0.051(4) Uani 1 1 d . . . . .
C4 C 0.5594(7) 0.7011(7) 0.7432(6) 0.056(4) Uani 1 1 d . . . . .
H4 H 0.5438 0.7418 0.7529 0.068 Uiso 1 1 calc R U . . .
C5 C 0.6044(6) 0.7036(7) 0.7201(6) 0.052(4) Uani 1 1 d . . . . .
H5 H 0.6176 0.7457 0.7104 0.062 Uiso 1 1 calc R U . . .
C6 C 0.6323(5) 0.6469(6) 0.7100(5) 0.038(3) Uani 1 1 d . . . . .
C7 C 0.6842(5) 0.6549(7) 0.6854(6) 0.043(4) Uani 1 1 d . . . . .
C8 C 0.7252(5) 0.6236(7) 0.7044(6) 0.045(4) Uani 1 1 d . . . . .
H8 H 0.7211 0.5947 0.7321 0.054 Uiso 1 1 calc R U . . .
C9 C 0.7725(5) 0.6327(8) 0.6849(6) 0.057(4) Uani 1 1 d . . . . .
H9 H 0.8011 0.6131 0.7007 0.069 Uiso 1 1 calc R U . . .
C10 C 0.7794(6) 0.6709(10) 0.6412(8) 0.075(6) Uani 1 1 d . . . . .
C11 C 0.7364(7) 0.6991(9) 0.6222(7) 0.069(5) Uani 1 1 d . . . . .
H11 H 0.7393 0.7239 0.5923 0.083 Uiso 1 1 calc R U . . .
C12 C 0.6887(5) 0.6938(8) 0.6438(7) 0.054(4) Uani 1 1 d . . . . .
H12 H 0.6602 0.7164 0.6303 0.065 Uiso 1 1 calc R U . . .
C13 C 0.4822(7) 0.6383(10) 0.7750(8) 0.117(8) Uani 1 1 d D U . . .
C14 C 0.4816(9) 0.5932(13) 0.8174(9) 0.165(11) Uani 1 1 d D U . . .
H14A H 0.4913 0.6176 0.8475 0.247 Uiso 1 1 calc R U . . .
H14B H 0.5056 0.5567 0.8117 0.247 Uiso 1 1 calc R U . . .
H14C H 0.4474 0.5748 0.8216 0.247 Uiso 1 1 calc R U . . .
C15 C 0.4484(10) 0.6056(15) 0.7342(10) 0.175(11) Uani 1 1 d D U . . .
H15A H 0.4131 0.6046 0.7456 0.262 Uiso 1 1 calc R U . . .
H15B H 0.4601 0.5600 0.7280 0.262 Uiso 1 1 calc R U . . .
H15C H 0.4508 0.6315 0.7035 0.262 Uiso 1 1 calc R U . . .
C16 C 0.4601(12) 0.7051(11) 0.7828(12) 0.176(12) Uani 1 1 d D U . . .
H16A H 0.4401 0.7052 0.8135 0.264 Uiso 1 1 calc R U . . .
H16B H 0.4381 0.7164 0.7547 0.264 Uiso 1 1 calc R U . . .
H16C H 0.4874 0.7381 0.7854 0.264 Uiso 1 1 calc R U . . .
C17 C 0.8315(7) 0.6836(13) 0.6194(9) 0.127(8) Uani 1 1 d D U . . .
C18 C 0.8739(8) 0.6578(19) 0.6480(12) 0.178(12) Uani 1 1 d D U . . .
H18A H 0.8691 0.6100 0.6539 0.267 Uiso 1 1 calc R U . . .
H18B H 0.8759 0.6812 0.6799 0.267 Uiso 1 1 calc R U . . .
H18C H 0.9055 0.6647 0.6294 0.267 Uiso 1 1 calc R U . . .
C19 C 0.8308(10) 0.6521(17) 0.5675(11) 0.155(10) Uani 1 1 d D U . . .
H19A H 0.7979 0.6606 0.5517 0.232 Uiso 1 1 calc R U . . .
H19B H 0.8361 0.6039 0.5704 0.232 Uiso 1 1 calc R U . . .
H19C H 0.8578 0.6716 0.5472 0.232 Uiso 1 1 calc R U . . .
C20 C 0.8406(10) 0.7566(15) 0.6126(14) 0.169(11) Uani 1 1 d D U . . .
H20A H 0.8760 0.7640 0.6027 0.254 Uiso 1 1 calc R U . . .
H20B H 0.8340 0.7799 0.6440 0.254 Uiso 1 1 calc R U . . .
H20C H 0.8180 0.7739 0.5868 0.254 Uiso 1 1 calc R U . . .
C21 C 0.6723(5) 0.4765(6) 0.7601(5) 0.036(3) Uani 1 1 d . . . . .
C22 C 0.6590(7) 0.5027(7) 0.8066(6) 0.047(4) Uani 1 1 d . . . . .
H22 H 0.6342 0.5371 0.8078 0.057 Uiso 1 1 calc R U . . .
C23 C 0.6803(7) 0.4807(8) 0.8511(6) 0.054(4) Uani 1 1 d . . . . .
C24 C 0.7168(7) 0.4323(8) 0.8448(6) 0.065(5) Uani 1 1 d . . . . .
H24 H 0.7345 0.4173 0.8735 0.078 Uiso 1 1 calc R U . . .
C25 C 0.7292(7) 0.4045(9) 0.7999(6) 0.064(5) Uani 1 1 d . . . . .
H25 H 0.7542 0.3705 0.7988 0.077 Uiso 1 1 calc R U . . .
C26 C 0.7064(5) 0.4243(7) 0.7567(5) 0.042(3) Uani 1 1 d . . . . .
C27 C 0.7253(6) 0.3949(7) 0.7082(5) 0.042(3) Uani 1 1 d . . . . .
C28 C 0.6959(6) 0.3480(8) 0.6824(6) 0.046(4) Uani 1 1 d . . . . .
H28 H 0.6622 0.3398 0.6933 0.055 Uiso 1 1 calc R U . . .
C29 C 0.7139(7) 0.3132(7) 0.6418(7) 0.062(5) Uani 1 1 d . . . . .
H29 H 0.6932 0.2811 0.6257 0.074 Uiso 1 1 calc R U . . .
C30 C 0.7643(7) 0.3262(9) 0.6244(6) 0.059(4) Uani 1 1 d . . . . .
C31 C 0.7909(7) 0.3711(10) 0.6509(7) 0.068(5) Uani 1 1 d . . . . .
H31 H 0.8248 0.3797 0.6406 0.082 Uiso 1 1 calc R U . . .
C32 C 0.7739(5) 0.4047(8) 0.6907(6) 0.055(4) Uani 1 1 d . . . . .
H32 H 0.7955 0.4356 0.7070 0.066 Uiso 1 1 calc R U . . .
C33 C 0.6674(7) 0.5146(10) 0.8985(7) 0.089(4) Uani 1 1 d D U . . .
C34 C 0.6901(16) 0.485(2) 0.9439(14) 0.099(7) Uani 0.46(2) 1 d D U P A 1
C35 C 0.6873(17) 0.5873(16) 0.8959(17) 0.113(8) Uani 0.46(2) 1 d D U P A 1
C36 C 0.6105(9) 0.522(2) 0.9044(17) 0.101(8) Uani 0.46(2) 1 d D U P A 1
C34B C 0.6233(15) 0.562(2) 0.8996(15) 0.099(7) Uani 0.54(2) 1 d D . P A 2
C35B C 0.6514(19) 0.4571(17) 0.9317(15) 0.113(8) Uani 0.54(2) 1 d D . P A 2
C36B C 0.7155(12) 0.532(2) 0.9277(14) 0.101(8) Uani 0.54(2) 1 d D . P A 2
C37 C 0.7878(7) 0.2865(8) 0.5832(6) 0.085(6) Uani 1 1 d D . . . .
C38 C 0.8010(8) 0.3340(11) 0.5401(7) 0.105(8) Uani 1 1 d D . . . .
H38A H 0.8267 0.3659 0.5512 0.157 Uiso 1 1 calc R U . . .
H38B H 0.7704 0.3580 0.5298 0.157 Uiso 1 1 calc R U . . .
H38C H 0.8142 0.3082 0.5120 0.157 Uiso 1 1 calc R U . . .
C39 C 0.7527(9) 0.2345(10) 0.5623(8) 0.131(11) Uani 1 1 d D . . . .
H39A H 0.7699 0.2105 0.5353 0.196 Uiso 1 1 calc R U . . .
H39B H 0.7221 0.2560 0.5493 0.196 Uiso 1 1 calc R U . . .
H39C H 0.7433 0.2030 0.5885 0.196 Uiso 1 1 calc R U . . .
C40 C 0.8363(8) 0.2537(12) 0.5997(9) 0.138(12) Uani 1 1 d D . . . .
H40A H 0.8285 0.2171 0.6226 0.207 Uiso 1 1 calc R U . . .
H40B H 0.8578 0.2866 0.6166 0.207 Uiso 1 1 calc R U . . .
H40C H 0.8543 0.2362 0.5706 0.207 Uiso 1 1 calc R U . . .
C41 C 0.5840(5) 0.4490(6) 0.6987(5) 0.037(3) Uani 1 1 d . . . . .
C42 C 0.5700(5) 0.4105(6) 0.7403(6) 0.036(3) Uani 1 1 d . . . . .
H42 H 0.5887 0.4155 0.7702 0.043 Uiso 1 1 calc R U . . .
C43 C 0.5295(6) 0.3652(7) 0.7394(6) 0.049(4) Uani 1 1 d . . . . .
C44 C 0.5045(5) 0.3602(7) 0.6963(6) 0.050(4) Uani 1 1 d . . . . .
H44 H 0.4765 0.3305 0.6942 0.060 Uiso 1 1 calc R U . . .
C45 C 0.5180(6) 0.3970(8) 0.6543(6) 0.061(4) Uani 1 1 d . . . . .
H45 H 0.4997 0.3907 0.6243 0.073 Uiso 1 1 calc R U . . .
C46 C 0.5570(5) 0.4416(6) 0.6554(5) 0.039(3) Uani 1 1 d . . . . .
C47 C 0.5694(5) 0.4759(7) 0.6071(5) 0.035(3) Uani 1 1 d . . . . .
C48 C 0.5699(5) 0.5449(6) 0.6019(5) 0.034(3) Uani 1 1 d . . . . .
H48 H 0.5640 0.5729 0.6297 0.040 Uiso 1 1 calc R U . . .
C49 C 0.5795(7) 0.5734(7) 0.5537(6) 0.054(4) Uani 1 1 d . U . . .
H49 H 0.5791 0.6205 0.5503 0.064 Uiso 1 1 calc R U . . .
C50 C 0.5896(6) 0.5347(8) 0.5118(5) 0.049(4) Uani 1 1 d . . . . .
C51 C 0.5878(6) 0.4656(7) 0.5192(6) 0.052(4) Uani 1 1 d . . . . .
H51 H 0.5921 0.4370 0.4913 0.062 Uiso 1 1 calc R U . . .
C52 C 0.5801(6) 0.4367(7) 0.5664(5) 0.047(4) Uani 1 1 d . . . . .
H52 H 0.5823 0.3897 0.5702 0.057 Uiso 1 1 calc R U . . .
C53 C 0.5197(7) 0.3217(9) 0.7852(7) 0.073(5) Uani 1 1 d . U . . .
C54 C 0.5057(11) 0.3647(12) 0.8268(10) 0.129(8) Uani 1 1 d . U . . .
H54A H 0.5151 0.3431 0.8582 0.193 Uiso 1 1 calc R U . . .
H54B H 0.4690 0.3726 0.8263 0.193 Uiso 1 1 calc R U . . .
H54C H 0.5236 0.4074 0.8239 0.193 Uiso 1 1 calc R U . . .
C55 C 0.5658(7) 0.2800(9) 0.7968(8) 0.080(5) Uani 1 1 d . U . . .
H55A H 0.5943 0.3093 0.8051 0.120 Uiso 1 1 calc R U . . .
H55B H 0.5746 0.2529 0.7677 0.120 Uiso 1 1 calc R U . . .
H55C H 0.5585 0.2508 0.8251 0.120 Uiso 1 1 calc R U . . .
C56 C 0.4774(9) 0.2712(11) 0.7748(10) 0.111(7) Uani 1 1 d . U . . .
H56A H 0.4781 0.2362 0.8002 0.167 Uiso 1 1 calc R U . . .
H56B H 0.4827 0.2512 0.7420 0.167 Uiso 1 1 calc R U . . .
H56C H 0.4445 0.2939 0.7755 0.167 Uiso 1 1 calc R U . . .
C57 C 0.5946(8) 0.5619(8) 0.4603(6) 0.070(5) Uani 1 1 d . . . . .
C58 C 0.5802(8) 0.6379(8) 0.4581(7) 0.076(5) Uani 1 1 d . . . . .
H58A H 0.5960 0.6614 0.4861 0.114 Uiso 1 1 calc R U . . .
H58B H 0.5433 0.6428 0.4600 0.114 Uiso 1 1 calc R U . . .
H58C H 0.5925 0.6570 0.4267 0.114 Uiso 1 1 calc R U . . .
C59 C 0.5615(10) 0.5258(11) 0.4241(8) 0.113(10) Uani 1 1 d . . . . .
H59A H 0.5637 0.5475 0.3915 0.170 Uiso 1 1 calc R U . . .
H59B H 0.5263 0.5267 0.4358 0.170 Uiso 1 1 calc R U . . .
H59C H 0.5729 0.4794 0.4212 0.170 Uiso 1 1 calc R U . . .
C60 C 0.6499(8) 0.5538(10) 0.4438(7) 0.090(7) Uani 1 1 d . . . . .
H60A H 0.6608 0.5078 0.4496 0.135 Uiso 1 1 calc R U . . .
H60B H 0.6715 0.5842 0.4630 0.135 Uiso 1 1 calc R U . . .
H60C H 0.6528 0.5642 0.4084 0.135 Uiso 1 1 calc R U . . .
C61 C 0.6385(5) -0.0810(6) 0.3342(4) 0.030(3) Uani 1 1 d . . . . .
C62 C 0.6872(5) -0.0846(6) 0.3127(5) 0.035(3) Uani 1 1 d . . . . .
H62 H 0.7040 -0.0441 0.3047 0.042 Uiso 1 1 calc R U . . .
C63 C 0.7113(6) -0.1429(7) 0.3027(6) 0.049(4) Uani 1 1 d . . . . .
C64 C 0.6859(5) -0.2037(8) 0.3132(7) 0.056(4) Uani 1 1 d . . . . .
H64 H 0.7014 -0.2454 0.3061 0.067 Uiso 1 1 calc R U . . .
C65 C 0.6371(6) -0.2006(6) 0.3345(6) 0.052(4) Uani 1 1 d . . . . .
H65 H 0.6196 -0.2411 0.3409 0.062 Uiso 1 1 calc R U . . .
C66 C 0.6137(4) -0.1410(6) 0.3465(5) 0.032(3) Uani 1 1 d . . . . .
C67 C 0.5630(5) -0.1447(6) 0.3700(5) 0.031(3) Uani 1 1 d . . . . .
C68 C 0.5557(5) -0.1828(6) 0.4133(6) 0.041(3) Uani 1 1 d . . . . .
H68 H 0.5840 -0.2053 0.4273 0.049 Uiso 1 1 calc R U . . .
C69 C 0.5090(5) -0.1888(7) 0.4362(6) 0.044(3) Uani 1 1 d . . . . .
H69 H 0.5057 -0.2142 0.4658 0.052 Uiso 1 1 calc R U . . .
C70 C 0.4659(6) -0.1569(8) 0.4154(6) 0.052(4) Uani 1 1 d . . . . .
C71 C 0.4731(5) -0.1202(7) 0.3739(5) 0.043(3) Uani 1 1 d . . . . .
H71 H 0.4447 -0.0975 0.3601 0.052 Uiso 1 1 calc R U . . .
C72 C 0.5207(5) -0.1137(7) 0.3498(5) 0.040(3) Uani 1 1 d . . . . .
H72 H 0.5236 -0.0883 0.3201 0.048 Uiso 1 1 calc R U . . .
C73 C 0.7636(6) -0.1481(8) 0.2781(7) 0.064(5) Uani 1 1 d . . . . .
C74 C 0.7846(7) -0.0808(10) 0.2680(9) 0.103(8) Uani 1 1 d . . . . .
H74A H 0.8198 -0.0849 0.2568 0.155 Uiso 1 1 calc R U . . .
H74B H 0.7834 -0.0541 0.2985 0.155 Uiso 1 1 calc R U . . .
H74C H 0.7644 -0.0590 0.2421 0.155 Uiso 1 1 calc R U . . .
C75 C 0.7603(9) -0.1782(15) 0.2260(8) 0.125(10) Uani 1 1 d . . . . .
H75A H 0.7947 -0.1851 0.2130 0.188 Uiso 1 1 calc R U . . .
H75B H 0.7417 -0.1478 0.2041 0.188 Uiso 1 1 calc R U . . .
H75C H 0.7426 -0.2211 0.2276 0.188 Uiso 1 1 calc R U . . .
C76 C 0.7978(8) -0.1988(12) 0.3029(10) 0.110(9) Uani 1 1 d . . . . .
H76A H 0.7802 -0.2417 0.3049 0.165 Uiso 1 1 calc R U . . .
H76B H 0.8064 -0.1835 0.3365 0.165 Uiso 1 1 calc R U . . .
H76C H 0.8289 -0.2039 0.2834 0.165 Uiso 1 1 calc R U . . .
C77 C 0.4136(6) -0.1675(10) 0.4400(6) 0.067(5) Uani 1 1 d . . . . .
C78 C 0.3718(7) -0.1425(15) 0.4079(9) 0.124(10) Uani 1 1 d . . . . .
H78A H 0.3393 -0.1598 0.4201 0.186 Uiso 1 1 calc R U . . .
H78B H 0.3773 -0.1576 0.3737 0.186 Uiso 1 1 calc R U . . .
H78C H 0.3713 -0.0937 0.4088 0.186 Uiso 1 1 calc R U . . .
C79 C 0.4062(9) -0.2449(12) 0.4481(10) 0.122(11) Uani 1 1 d . . . . .
H79A H 0.4387 -0.2651 0.4574 0.183 Uiso 1 1 calc R U . . .
H79B H 0.3938 -0.2652 0.4173 0.183 Uiso 1 1 calc R U . . .
H79C H 0.3814 -0.2524 0.4747 0.183 Uiso 1 1 calc R U . . .
C80 C 0.4136(7) -0.1366(12) 0.4916(7) 0.089(7) Uani 1 1 d . . . . .
H80A H 0.3786 -0.1313 0.5032 0.133 Uiso 1 1 calc R U . . .
H80B H 0.4302 -0.0929 0.4903 0.133 Uiso 1 1 calc R U . . .
H80C H 0.4322 -0.1656 0.5146 0.133 Uiso 1 1 calc R U . . .
C81 C 0.5829(4) 0.0277(6) 0.2888(5) 0.030(3) Uani 1 1 d . . . . .
C82 C 0.5959(5) -0.0021(7) 0.2451(5) 0.037(3) Uani 1 1 d . . . . .
H82 H 0.6168 -0.0407 0.2459 0.044 Uiso 1 1 calc R U . . .
C83 C 0.5794(5) 0.0224(8) 0.1987(5) 0.045(3) Uani 1 1 d . . . . .
C84 C 0.5458(6) 0.0745(8) 0.1994(5) 0.056(4) Uani 1 1 d . . . . .
H84 H 0.5327 0.0913 0.1689 0.067 Uiso 1 1 calc R U . . .
C85 C 0.5303(7) 0.1035(7) 0.2444(6) 0.062(5) Uani 1 1 d . . . . .
H85 H 0.5073 0.1400 0.2436 0.075 Uiso 1 1 calc R U . . .
C86 C 0.5474(5) 0.0809(7) 0.2898(5) 0.041(3) Uani 1 1 d . . . . .
C87 C 0.5286(5) 0.1137(7) 0.3349(5) 0.040(3) Uani 1 1 d . . . . .
C88 C 0.5578(5) 0.1583(7) 0.3629(5) 0.036(3) Uani 1 1 d . . . . .
H88 H 0.5926 0.1655 0.3555 0.043 Uiso 1 1 calc R U . . .
C89 C 0.5337(7) 0.1927(7) 0.4031(6) 0.055(4) Uani 1 1 d . . . . .
H89 H 0.5527 0.2232 0.4226 0.066 Uiso 1 1 calc R U . . .
C90 C 0.4815(6) 0.1818(8) 0.4141(7) 0.065(5) Uani 1 1 d . . . . .
C91 C 0.4559(7) 0.1356(9) 0.3888(7) 0.065(5) Uani 1 1 d . . . . .
H91 H 0.4222 0.1252 0.3985 0.078 Uiso 1 1 calc R U . . .
C92 C 0.4767(6) 0.1030(8) 0.3498(6) 0.052(4) Uani 1 1 d . . . . .
H92 H 0.4565 0.0723 0.3316 0.063 Uiso 1 1 calc R U . . .
C93 C 0.5964(7) -0.0073(10) 0.1496(6) 0.068(5) Uani 1 1 d . U . . .
C94 C 0.6513(12) -0.0109(19) 0.1474(10) 0.178(12) Uani 1 1 d . U . . .
H94A H 0.6650 0.0333 0.1396 0.267 Uiso 1 1 calc R U . . .
H94B H 0.6614 -0.0425 0.1214 0.267 Uiso 1 1 calc R U . . .
H94C H 0.6646 -0.0259 0.1795 0.267 Uiso 1 1 calc R U . . .
C95 C 0.5871(12) -0.0905(17) 0.1551(9) 0.158(9) Uani 1 1 d . U . . .
H95A H 0.6148 -0.1143 0.1386 0.237 Uiso 1 1 calc R U . . .
H95B H 0.5547 -0.1026 0.1396 0.237 Uiso 1 1 calc R U . . .
H95C H 0.5863 -0.1027 0.1904 0.237 Uiso 1 1 calc R U . . .
C96 C 0.5634(10) 0.0016(14) 0.1057(10) 0.140(11) Uani 1 1 d . U . . .
H96A H 0.5282 -0.0088 0.1148 0.210 Uiso 1 1 calc R U . . .
H96B H 0.5745 -0.0284 0.0791 0.210 Uiso 1 1 calc R U . . .
H96C H 0.5655 0.0478 0.0942 0.210 Uiso 1 1 calc R U . . .
C97 C 0.4556(8) 0.2234(11) 0.4574(9) 0.093(6) Uani 1 1 d . U . . .
C98 C 0.4899(8) 0.2820(10) 0.4746(8) 0.097(6) Uani 1 1 d . U . . .
H98A H 0.4901 0.3168 0.4491 0.146 Uiso 1 1 calc R U . . .
H98B H 0.5246 0.2658 0.4798 0.146 Uiso 1 1 calc R U . . .
H98C H 0.4768 0.3004 0.5058 0.146 Uiso 1 1 calc R U . . .
C99 C 0.4419(9) 0.1783(13) 0.5011(9) 0.118(8) Uani 1 1 d . U . . .
H99A H 0.4724 0.1690 0.5207 0.176 Uiso 1 1 calc R U . . .
H99B H 0.4278 0.1363 0.4886 0.176 Uiso 1 1 calc R U . . .
H99C H 0.4167 0.2006 0.5222 0.176 Uiso 1 1 calc R U . . .
C100 C 0.4095(9) 0.2555(13) 0.4345(12) 0.133(9) Uani 1 1 d . U . . .
H10A H 0.4116 0.2521 0.3982 0.200 Uiso 1 1 calc R U . . .
H10B H 0.4082 0.3026 0.4441 0.200 Uiso 1 1 calc R U . . .
H10C H 0.3789 0.2328 0.4462 0.200 Uiso 1 1 calc R U . . .
C101 C 0.6654(5) 0.0568(5) 0.3531(5) 0.030(3) Uani 1 1 d . . . . .
C102 C 0.6833(5) 0.0909(7) 0.3116(5) 0.035(3) Uani 1 1 d . . . . .
H102 H 0.6677 0.0820 0.2805 0.042 Uiso 1 1 calc R U . . .
C103 C 0.7215(5) 0.1360(6) 0.3126(5) 0.038(3) Uani 1 1 d . . . . .
C104 C 0.7441(6) 0.1485(7) 0.3614(6) 0.052(4) Uani 1 1 d . . . . .
H104 H 0.7712 0.1795 0.3643 0.063 Uiso 1 1 calc R U . . .
C105 C 0.7269(5) 0.1164(7) 0.4031(6) 0.046(3) Uani 1 1 d . . . . .
H105 H 0.7416 0.1266 0.4344 0.055 Uiso 1 1 calc R U . . .
C106 C 0.6879(5) 0.0686(6) 0.4005(4) 0.033(3) Uani 1 1 d . . . . .
C107 C 0.6712(5) 0.0375(7) 0.4481(5) 0.037(3) Uani 1 1 d . . . . .
C108 C 0.6723(5) -0.0307(7) 0.4562(5) 0.035(3) Uani 1 1 d . . . . .
H108 H 0.6793 -0.0595 0.4291 0.042 Uiso 1 1 calc R U . . .
C109 C 0.6634(5) -0.0583(7) 0.5027(5) 0.040(3) Uani 1 1 d . . . . .
H109 H 0.6652 -0.1052 0.5069 0.048 Uiso 1 1 calc R U . . .
C110 C 0.6516(5) -0.0176(7) 0.5439(5) 0.039(3) Uani 1 1 d . . . . .
C111 C 0.6474(6) 0.0514(7) 0.5348(5) 0.047(4) Uani 1 1 d . . . . .
H111 H 0.6354 0.0798 0.5605 0.056 Uiso 1 1 calc R U . . .
C112 C 0.6607(6) 0.0788(7) 0.4888(5) 0.044(3) Uani 1 1 d . . . . .
H112 H 0.6625 0.1258 0.4850 0.053 Uiso 1 1 calc R U . . .
C113 C 0.7393(6) 0.1722(8) 0.2670(6) 0.056(4) Uani 1 1 d . . . . .
C114 C 0.7477(8) 0.1254(9) 0.2241(6) 0.071(5) Uani 1 1 d . . . . .
H11A H 0.7588 0.1508 0.1950 0.107 Uiso 1 1 calc R U . . .
H11B H 0.7160 0.1021 0.2165 0.107 Uiso 1 1 calc R U . . .
H11C H 0.7739 0.0928 0.2331 0.107 Uiso 1 1 calc R U . . .
C115 C 0.6986(7) 0.2201(9) 0.2521(7) 0.074(5) Uani 1 1 d . . . . .
H11D H 0.6654 0.1987 0.2556 0.111 Uiso 1 1 calc R U . . .
H11E H 0.7036 0.2335 0.2175 0.111 Uiso 1 1 calc R U . . .
H11F H 0.7001 0.2595 0.2736 0.111 Uiso 1 1 calc R U . . .
C116 C 0.7888(8) 0.2133(12) 0.2755(9) 0.104(8) Uani 1 1 d . . . . .
H11G H 0.8010 0.2307 0.2436 0.156 Uiso 1 1 calc R U . . .
H11H H 0.8149 0.1845 0.2901 0.156 Uiso 1 1 calc R U . . .
H11I H 0.7817 0.2505 0.2981 0.156 Uiso 1 1 calc R U . . .
C117 C 0.6452(6) -0.0449(7) 0.5954(5) 0.053(4) Uani 1 1 d . . . . .
C118 C 0.6559(7) -0.1189(8) 0.5998(7) 0.068(5) Uani 1 1 d . . . . .
H11J H 0.6920 -0.1271 0.5939 0.102 Uiso 1 1 calc R U . . .
H11K H 0.6358 -0.1431 0.5750 0.102 Uiso 1 1 calc R U . . .
H11L H 0.6468 -0.1342 0.6332 0.102 Uiso 1 1 calc R U . . .
C119 C 0.5909(8) -0.0313(9) 0.6141(6) 0.075(5) Uani 1 1 d . . . . .
H11M H 0.5858 0.0168 0.6176 0.113 Uiso 1 1 calc R U . . .
H11N H 0.5861 -0.0529 0.6465 0.113 Uiso 1 1 calc R U . . .
H11O H 0.5664 -0.0493 0.5903 0.113 Uiso 1 1 calc R U . . .
C120 C 0.6839(8) -0.0065(10) 0.6305(8) 0.084(7) Uani 1 1 d . . . . .
H12A H 0.7181 -0.0241 0.6253 0.127 Uiso 1 1 calc R U . . .
H12B H 0.6740 -0.0129 0.6653 0.127 Uiso 1 1 calc R U . . .
H12C H 0.6833 0.0411 0.6224 0.127 Uiso 1 1 calc R U . . .
C200 C 0.5907(8) 0.0896(11) 0.7402(8) 0.093(7) Uani 1 1 d . . . . .
H20D H 0.5844 0.1361 0.7510 0.111 Uiso 1 1 calc R U . . .
H20E H 0.6087 0.0910 0.7079 0.111 Uiso 1 1 calc R U . . .
Cl1 Cl 0.73347(17) 0.5043(2) 0.56388(17) 0.0606(11) Uani 1 1 d . . . . .
Cl2 Cl 0.51158(17) 0.00735(19) 0.48523(16) 0.0564(10) Uani 1 1 d . . . . .
Cl3 Cl 0.5353(3) 0.0495(5) 0.7337(2) 0.148(3) Uani 1 1 d . . . . .
Cl4 Cl 0.6287(2) 0.0475(4) 0.7852(3) 0.136(3) Uani 1 1 d . . . . .
F1 F 0.6738(5) 0.3445(8) 0.4939(5) 0.122(5) Uani 1 1 d . U . . .
F2 F 0.6001(4) 0.3436(5) 0.4305(4) 0.083(3) Uani 1 1 d . U . . .
F3 F 0.6803(6) 0.3961(6) 0.4000(7) 0.144(5) Uani 1 1 d . U . . .
F4 F 0.7337(4) 0.2859(7) 0.4312(6) 0.127(5) Uani 1 1 d . U . . .
F5 F 0.6476(5) 0.2329(5) 0.4526(5) 0.103(4) Uani 1 1 d . U . . .
F6 F 0.6549(6) 0.2794(7) 0.3662(5) 0.128(5) Uani 1 1 d . U . . .
F7 F 0.7068(5) 0.6813(6) 0.5049(4) 0.101(4) Uani 1 1 d . U . . .
F8 F 0.7437(4) 0.8023(5) 0.5186(4) 0.083(3) Uani 1 1 d . U . . .
F9 F 0.6549(5) 0.7832(6) 0.4777(5) 0.103(4) Uani 1 1 d . U . . .
F10 F 0.6961(6) 0.7052(6) 0.4110(5) 0.120(4) Uani 1 1 d . U . . .
F11 F 0.7852(6) 0.7231(8) 0.4525(7) 0.149(6) Uani 1 1 d . U . . .
F12 F 0.7315(6) 0.8291(6) 0.4239(5) 0.114(4) Uani 1 1 d . U . . .
F13 F 0.5363(4) -0.1666(4) 0.5544(3) 0.066(2) Uani 1 1 d . U . . .
F14 F 0.4956(3) -0.2834(4) 0.5426(3) 0.063(2) Uani 1 1 d . U . . .
F15 F 0.5844(4) -0.2712(5) 0.5876(4) 0.079(3) Uani 1 1 d . U . . .
F16 F 0.5445(4) -0.1881(5) 0.6515(3) 0.074(3) Uani 1 1 d . U . . .
F17 F 0.4556(4) -0.1993(6) 0.6067(4) 0.092(3) Uani 1 1 d . U . . .
F18 F 0.5039(5) -0.3107(5) 0.6372(4) 0.100(3) Uani 1 1 d . U . . .
F19 F 0.5767(5) 0.1843(7) 0.5440(5) 0.115(4) Uani 1 1 d . U . . .
F20 F 0.6371(5) 0.1692(5) 0.6200(4) 0.107(4) Uani 1 1 d . U . . .
F21 F 0.5427(9) 0.1329(10) 0.6228(9) 0.209(8) Uani 1 1 d . U . . .
F22 F 0.5136(5) 0.2515(6) 0.5991(5) 0.103(4) Uani 1 1 d . U . . .
F23 F 0.6054(5) 0.2879(5) 0.5942(6) 0.121(4) Uani 1 1 d . U . . .
F24 F 0.5719(8) 0.2335(11) 0.6761(6) 0.193(7) Uani 1 1 d . U . . .
P1 P 0.63764(14) 0.50509(15) 0.70496(13) 0.0303(7) Uani 1 1 d . . . . .
P0C P 0.61165(13) 0.00004(15) 0.34651(13) 0.0277(7) Uani 1 1 d . . . . .
Sb1 Sb 0.66652(5) 0.31483(5) 0.42891(5) 0.0613(3) Uani 1 1 d . U . . .
Sb2 Sb 0.72250(5) 0.75378(6) 0.46403(5) 0.0686(3) Uani 1 1 d . U . . .
Sb3 Sb 0.51960(4) -0.23647(5) 0.59770(4) 0.0487(2) Uani 1 1 d . U . . .
Sb4 Sb 0.57358(6) 0.21027(6) 0.61057(5) 0.0750(4) Uani 1 1 d . U . . .
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'
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'
Sb Sb -0.5866 1.5461 '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
_geom_angle_publ_flag
F1 Ag1 C29 113.4(5) . . ?
F1 Ag1 C52 90.3(4) . . ?
C29 Ag1 C52 130.0(5) . . ?
F1 Ag1 Cl1 102.6(4) . . ?
C29 Ag1 Cl1 112.7(4) . . ?
C52 Ag1 Cl1 103.2(3) . . ?
F1 Ag1 Au1 148.1(4) . . ?
C29 Ag1 Au1 94.0(4) . . ?
C52 Ag1 Au1 83.7(3) . . ?
Cl1 Ag1 Au1 49.25(9) . . ?
F7 Ag2 C12 97.3(5) . . ?
F7 Ag2 C49 112.8(5) . . ?
C12 Ag2 C49 119.3(5) . . ?
F7 Ag2 Cl1 100.0(4) . . ?
C12 Ag2 Cl1 117.4(4) . . ?
C49 Ag2 Cl1 107.9(3) . . ?
F7 Ag2 Au1 147.1(3) . . ?
C12 Ag2 Au1 88.8(4) . . ?
C49 Ag2 Au1 91.6(3) . . ?
Cl1 Ag2 Au1 49.65(9) . . ?
F13 Ag3 C68 98.6(4) . . ?
F13 Ag3 C109 112.3(4) . . ?
C68 Ag3 C109 120.4(4) . . ?
F13 Ag3 Cl2 101.5(3) . . ?
C68 Ag3 Cl2 115.2(3) . . ?
C109 Ag3 Cl2 107.0(3) . . ?
F13 Ag3 Au2 148.8(2) . . ?
C68 Ag3 Au2 86.4(3) . . ?
C109 Ag3 Au2 90.7(3) . . ?
Cl2 Ag3 Au2 49.78(9) . . ?
F19 Ag4 C89 109.3(5) . . ?
F19 Ag4 C112 83.8(4) . . ?
C89 Ag4 C112 130.5(5) . . ?
F19 Ag4 Cl2 112.0(4) . . ?
C89 Ag4 Cl2 115.3(4) . . ?
C112 Ag4 Cl2 101.6(3) . . ?
F19 Ag4 Au2 155.5(4) . . ?
C89 Ag4 Au2 94.6(3) . . ?
C112 Ag4 Au2 84.8(3) . . ?
Cl2 Ag4 Au2 49.74(9) . . ?
P1 Au1 Cl1 175.35(16) . . ?
P1 Au1 Ag2 115.63(9) . . ?
Cl1 Au1 Ag2 63.18(11) . . ?
P1 Au1 Ag1 113.36(9) . . ?
Cl1 Au1 Ag1 63.43(12) . . ?
Ag2 Au1 Ag1 103.78(6) . . ?
P0C Au2 Cl2 174.02(15) . . ?
P0C Au2 Ag4 113.82(9) . . ?
Cl2 Au2 Ag4 62.71(11) . . ?
P0C Au2 Ag3 116.41(9) . . ?
Cl2 Au2 Ag3 61.30(11) . . ?
Ag4 Au2 Ag3 102.94(5) . . ?
C2 C1 C6 120.2(13) . . ?
C2 C1 P1 116.7(10) . . ?
C6 C1 P1 123.0(10) . . ?
C1 C2 C3 121.9(14) . . ?
C4 C3 C2 116.1(15) . . ?
C4 C3 C13 124.7(15) . . ?
C2 C3 C13 119.3(15) . . ?
C5 C4 C3 122.9(15) . . ?
C4 C5 C6 122.1(14) . . ?
C5 C6 C1 116.4(13) . . ?
C5 C6 C7 118.3(12) . . ?
C1 C6 C7 125.2(12) . . ?
C8 C7 C12 120.3(14) . . ?
C8 C7 C6 120.2(13) . . ?
C12 C7 C6 119.5(13) . . ?
C7 C8 C9 121.5(15) . . ?
C8 C9 C10 120.6(14) . . ?
C11 C10 C9 115.4(15) . . ?
C11 C10 C17 122.5(17) . . ?
C9 C10 C17 122.0(16) . . ?
C10 C11 C12 124.2(16) . . ?
C7 C12 C11 117.7(15) . . ?
C7 C12 Ag2 103.8(10) . . ?
C11 C12 Ag2 83.6(11) . . ?
C14 C13 C16 116.6(16) . . ?
C14 C13 C3 110.9(17) . . ?
C16 C13 C3 111.0(19) . . ?
C14 C13 C15 106.4(15) . . ?
C16 C13 C15 104.9(14) . . ?
C3 C13 C15 106.3(18) . . ?
C18 C17 C20 107(2) . . ?
C18 C17 C10 115.6(19) . . ?
C20 C17 C10 111(2) . . ?
C18 C17 C19 110(3) . . ?
C20 C17 C19 107(2) . . ?
C10 C17 C19 106(2) . . ?
C26 C21 C22 120.4(13) . . ?
C26 C21 P1 120.5(10) . . ?
C22 C21 P1 118.7(10) . . ?
C23 C22 C21 123.2(14) . . ?
C24 C23 C22 113.6(14) . . ?
C24 C23 C33 125.9(15) . . ?
C22 C23 C33 120.1(14) . . ?
C25 C24 C23 124.1(14) . . ?
C26 C25 C24 121.8(14) . . ?
C25 C26 C21 116.7(13) . . ?
C25 C26 C27 118.4(12) . . ?
C21 C26 C27 124.3(12) . . ?
C32 C27 C28 116.1(14) . . ?
C32 C27 C26 122.9(14) . . ?
C28 C27 C26 120.4(13) . . ?
C29 C28 C27 122.7(15) . . ?
C28 C29 C30 119.0(16) . . ?
C28 C29 Ag1 95.3(9) . . ?
C30 C29 Ag1 91.4(10) . . ?
C31 C30 C29 115.7(15) . . ?
C31 C30 C37 122.1(17) . . ?
C29 C30 C37 121.8(17) . . ?
C32 C31 C30 125.7(17) . . ?
C31 C32 C27 120.8(16) . . ?
C23 C33 C34 115(2) . . ?
C23 C33 C34B 119(2) . . ?
C23 C33 C35B 103(2) . . ?
C34B C33 C35B 105(3) . . ?
C23 C33 C36 111(2) . . ?
C34 C33 C36 110.8(18) . . ?
C23 C33 C36B 111(2) . . ?
C34B C33 C36B 119(3) . . ?
C35B C33 C36B 96(3) . . ?
C23 C33 C35 108(2) . . ?
C34 C33 C35 106.3(17) . . ?
C36 C33 C35 104.0(16) . . ?
C30 C37 C39 113.1(17) . . ?
C30 C37 C40 111.4(15) . . ?
C39 C37 C40 109.2(14) . . ?
C30 C37 C38 108.7(14) . . ?
C39 C37 C38 106.7(13) . . ?
C40 C37 C38 107.5(14) . . ?
C46 C41 C42 118.6(12) . . ?
C46 C41 P1 123.3(10) . . ?
C42 C41 P1 118.1(10) . . ?
C43 C42 C41 122.9(14) . . ?
C44 C43 C42 116.0(14) . . ?
C44 C43 C53 124.9(15) . . ?
C42 C43 C53 119.0(15) . . ?
C43 C44 C45 122.4(14) . . ?
C46 C45 C44 121.6(15) . . ?
C45 C46 C41 118.6(14) . . ?
C45 C46 C47 116.5(13) . . ?
C41 C46 C47 124.8(12) . . ?
C52 C47 C48 119.0(11) . . ?
C52 C47 C46 118.0(12) . . ?
C48 C47 C46 123.0(12) . . ?
C47 C48 C49 119.2(12) . . ?
C50 C49 C48 122.8(13) . . ?
C50 C49 Ag2 97.9(11) . . ?
C48 C49 Ag2 96.8(9) . . ?
C49 C50 C51 115.5(13) . . ?
C49 C50 C57 124.3(14) . . ?
C51 C50 C57 119.7(13) . . ?
C50 C51 C52 122.6(13) . . ?
C47 C52 C51 120.7(12) . . ?
C47 C52 Ag1 107.3(10) . . ?
C51 C52 Ag1 95.5(10) . . ?
C54 C53 C55 112(2) . . ?
C54 C53 C43 108.7(16) . . ?
C55 C53 C43 110.3(14) . . ?
C54 C53 C56 110.3(19) . . ?
C55 C53 C56 104.9(16) . . ?
C43 C53 C56 110.6(17) . . ?
C50 C57 C59 112.0(16) . . ?
C50 C57 C60 108.3(15) . . ?
C59 C57 C60 108.4(18) . . ?
C50 C57 C58 111.6(14) . . ?
C59 C57 C58 107.7(16) . . ?
C60 C57 C58 108.7(15) . . ?
C66 C61 C62 118.3(11) . . ?
C66 C61 P0C 123.1(9) . . ?
C62 C61 P0C 118.6(9) . . ?
C63 C62 C61 123.5(12) . . ?
C62 C63 C64 118.6(14) . . ?
C62 C63 C73 124.4(14) . . ?
C64 C63 C73 116.9(13) . . ?
C65 C64 C63 118.3(13) . . ?
C66 C65 C64 122.6(13) . . ?
C65 C66 C61 118.5(11) . . ?
C65 C66 C67 117.4(11) . . ?
C61 C66 C67 124.1(11) . . ?
C72 C67 C68 117.3(12) . . ?
C72 C67 C66 122.5(13) . . ?
C68 C67 C66 120.2(12) . . ?
C69 C68 C67 122.6(13) . . ?
C69 C68 Ag3 82.8(9) . . ?
C67 C68 Ag3 104.0(8) . . ?
C68 C69 C70 119.7(13) . . ?
C71 C70 C69 117.5(14) . . ?
C71 C70 C77 123.7(15) . . ?
C69 C70 C77 118.8(14) . . ?
C70 C71 C72 123.5(14) . . ?
C67 C72 C71 119.4(13) . . ?
C74 C73 C76 118.0(18) . . ?
C74 C73 C75 102.4(18) . . ?
C76 C73 C75 99.9(17) . . ?
C74 C73 C63 110.6(13) . . ?
C76 C73 C63 113.0(14) . . ?
C75 C73 C63 112.0(17) . . ?
C78 C77 C80 113.2(19) . . ?
C78 C77 C70 111.4(14) . . ?
C80 C77 C70 109.5(13) . . ?
C78 C77 C79 108.6(18) . . ?
C80 C77 C79 106.0(16) . . ?
C70 C77 C79 107.7(15) . . ?
C82 C81 C86 120.8(12) . . ?
C82 C81 P0C 119.9(9) . . ?
C86 C81 P0C 119.3(10) . . ?
C81 C82 C83 122.2(13) . . ?
C84 C83 C82 116.9(13) . . ?
C84 C83 C93 120.2(13) . . ?
C82 C83 C93 122.9(14) . . ?
C83 C84 C85 121.1(13) . . ?
C86 C85 C84 122.1(14) . . ?
C85 C86 C81 116.5(13) . . ?
C85 C86 C87 118.3(12) . . ?
C81 C86 C87 125.2(12) . . ?
C88 C87 C92 117.8(13) . . ?
C88 C87 C86 123.2(13) . . ?
C92 C87 C86 118.9(13) . . ?
C87 C88 C89 118.1(13) . . ?
C90 C89 C88 120.8(15) . . ?
C90 C89 Ag4 95.3(11) . . ?
C88 C89 Ag4 96.1(9) . . ?
C91 C90 C89 119.2(15) . . ?
C91 C90 C97 121.6(16) . . ?
C89 C90 C97 119.2(17) . . ?
C90 C91 C92 121.9(16) . . ?
C91 C92 C87 121.9(15) . . ?
C94 C93 C96 124(2) . . ?
C94 C93 C83 110.5(17) . . ?
C96 C93 C83 118.3(16) . . ?
C94 C93 C95 96(2) . . ?
C96 C93 C95 95.9(19) . . ?
C83 C93 C95 105.6(14) . . ?
C100 C97 C99 112(2) . . ?
C100 C97 C98 106(2) . . ?
C99 C97 C98 111(2) . . ?
C100 C97 C90 105.8(19) . . ?
C99 C97 C90 110.8(17) . . ?
C98 C97 C90 111.5(16) . . ?
C102 C101 C106 119.5(11) . . ?
C102 C101 P0C 119.5(10) . . ?
C106 C101 P0C 121.0(9) . . ?
C103 C102 C101 124.4(13) . . ?
C102 C103 C104 115.8(12) . . ?
C102 C103 C113 122.6(13) . . ?
C104 C103 C113 121.6(12) . . ?
C105 C104 C103 121.2(13) . . ?
C104 C105 C106 121.6(13) . . ?
C105 C106 C101 117.5(11) . . ?
C105 C106 C107 117.3(11) . . ?
C101 C106 C107 125.1(11) . . ?
C108 C107 C112 117.8(12) . . ?
C108 C107 C106 123.0(12) . . ?
C112 C107 C106 118.7(12) . . ?
C107 C108 C109 122.2(13) . . ?
C108 C109 C110 120.9(13) . . ?
C108 C109 Ag3 96.5(8) . . ?
C110 C109 Ag3 97.6(9) . . ?
C111 C110 C109 116.8(12) . . ?
C111 C110 C117 120.5(13) . . ?
C109 C110 C117 122.6(13) . . ?
C112 C111 C110 121.2(13) . . ?
C111 C112 C107 120.5(13) . . ?
C111 C112 Ag4 93.6(10) . . ?
C107 C112 Ag4 102.4(9) . . ?
C115 C113 C103 107.8(13) . . ?
C115 C113 C114 107.6(15) . . ?
C103 C113 C114 111.8(13) . . ?
C115 C113 C116 107.4(15) . . ?
C103 C113 C116 113.4(14) . . ?
C114 C113 C116 108.5(15) . . ?
C110 C117 C118 114.0(14) . . ?
C110 C117 C119 110.0(13) . . ?
C118 C117 C119 108.7(13) . . ?
C110 C117 C120 107.4(13) . . ?
C118 C117 C120 108.1(14) . . ?
C119 C117 C120 108.5(15) . . ?
Cl3 C200 Cl4 109.4(10) . . ?
Au1 Cl1 Ag2 67.17(11) . . ?
Au1 Cl1 Ag1 67.32(11) . . ?
Ag2 Cl1 Ag1 108.62(16) . . ?
Au2 Cl2 Ag3 68.92(11) . . ?
Au2 Cl2 Ag4 67.55(11) . . ?
Ag3 Cl2 Ag4 110.73(16) . . ?
Sb1 F1 Ag1 174.0(7) . . ?
Sb2 F7 Ag2 162.9(8) . . ?
Sb3 F13 Ag3 163.5(5) . . ?
Sb4 F19 Ag4 161.3(9) . . ?
C41 P1 C21 105.6(6) . . ?
C41 P1 C1 104.6(6) . . ?
C21 P1 C1 107.0(6) . . ?
C41 P1 Au1 112.7(4) . . ?
C21 P1 Au1 111.4(4) . . ?
C1 P1 Au1 114.7(4) . . ?
C61 P0C C81 106.4(6) . . ?
C61 P0C C101 106.0(5) . . ?
C81 P0C C101 102.5(5) . . ?
C61 P0C Au2 114.0(4) . . ?
C81 P0C Au2 114.0(4) . . ?
C101 P0C Au2 113.0(4) . . ?
F5 Sb1 F2 90.8(5) . . ?
F5 Sb1 F3 173.9(8) . . ?
F2 Sb1 F3 85.5(6) . . ?
F5 Sb1 F6 85.8(7) . . ?
F2 Sb1 F6 89.1(6) . . ?
F3 Sb1 F6 89.3(7) . . ?
F5 Sb1 F1 89.4(7) . . ?
F2 Sb1 F1 88.6(5) . . ?
F3 Sb1 F1 95.4(8) . . ?
F6 Sb1 F1 174.6(8) . . ?
F5 Sb1 F4 88.1(6) . . ?
F2 Sb1 F4 176.8(6) . . ?
F3 Sb1 F4 95.9(7) . . ?
F6 Sb1 F4 93.9(6) . . ?
F1 Sb1 F4 88.3(6) . . ?
F11 Sb2 F8 92.3(7) . . ?
F11 Sb2 F10 91.8(8) . . ?
F8 Sb2 F10 175.6(6) . . ?
F11 Sb2 F7 92.3(7) . . ?
F8 Sb2 F7 90.5(5) . . ?
F10 Sb2 F7 87.7(5) . . ?
F11 Sb2 F12 93.5(7) . . ?
F8 Sb2 F12 89.7(5) . . ?
F10 Sb2 F12 91.7(5) . . ?
F7 Sb2 F12 174.2(6) . . ?
F11 Sb2 F9 177.7(7) . . ?
F8 Sb2 F9 88.1(5) . . ?
F10 Sb2 F9 87.7(6) . . ?
F7 Sb2 F9 85.5(6) . . ?
F12 Sb2 F9 88.8(6) . . ?
F17 Sb3 F16 90.6(5) . . ?
F17 Sb3 F15 178.1(5) . . ?
F16 Sb3 F15 89.1(5) . . ?
F17 Sb3 F14 89.9(5) . . ?
F16 Sb3 F14 178.4(4) . . ?
F15 Sb3 F14 90.3(4) . . ?
F17 Sb3 F18 92.6(6) . . ?
F16 Sb3 F18 93.0(5) . . ?
F15 Sb3 F18 89.3(6) . . ?
F14 Sb3 F18 88.5(5) . . ?
F17 Sb3 F13 89.6(5) . . ?
F16 Sb3 F13 90.6(4) . . ?
F15 Sb3 F13 88.5(5) . . ?
F14 Sb3 F13 87.9(4) . . ?
F18 Sb3 F13 175.8(5) . . ?
F21 Sb4 F22 91.7(8) . . ?
F21 Sb4 F23 176.6(10) . . ?
F22 Sb4 F23 88.3(6) . . ?
F21 Sb4 F24 92.0(11) . . ?
F22 Sb4 F24 91.5(7) . . ?
F23 Sb4 F24 91.4(10) . . ?
F21 Sb4 F19 87.3(9) . . ?
F22 Sb4 F19 90.2(6) . . ?
F23 Sb4 F19 89.3(7) . . ?
F24 Sb4 F19 178.2(7) . . ?
F21 Sb4 F20 90.1(8) . . ?
F22 Sb4 F20 177.5(6) . . ?
F23 Sb4 F20 89.8(5) . . ?
F24 Sb4 F20 90.2(7) . . ?
F19 Sb4 F20 88.1(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 F1 2.432(11) . ?
Ag1 C29 2.549(15) . ?
Ag1 C52 2.709(16) . ?
Ag1 Cl1 2.735(5) . ?
Ag1 Au1 2.8212(15) . ?
Ag2 F7 2.444(11) . ?
Ag2 C12 2.584(18) . ?
Ag2 C49 2.600(18) . ?
Ag2 Cl1 2.712(5) . ?
Ag2 Au1 2.8015(16) . ?
Ag3 F13 2.496(9) . ?
Ag3 C68 2.573(15) . ?
Ag3 C109 2.592(13) . ?
Ag3 Cl2 2.678(4) . ?
Ag3 Au2 2.8488(14) . ?
Ag4 F19 2.406(12) . ?
Ag4 C89 2.449(16) . ?
Ag4 C112 2.684(15) . ?
Ag4 Cl2 2.715(4) . ?
Ag4 Au2 2.8235(14) . ?
Au1 P1 2.246(4) . ?
Au1 Cl1 2.316(4) . ?
Au2 P0C 2.247(4) . ?
Au2 Cl2 2.331(4) . ?
C1 C2 1.379(18) . ?
C1 C6 1.390(17) . ?
C1 P1 1.846(13) . ?
C2 C3 1.39(2) . ?
C3 C4 1.35(2) . ?
C3 C13 1.51(2) . ?
C4 C5 1.34(2) . ?
C5 C6 1.382(19) . ?
C6 C7 1.53(2) . ?
C7 C8 1.35(2) . ?
C7 C12 1.37(2) . ?
C8 C9 1.366(19) . ?
C9 C10 1.41(2) . ?
C10 C11 1.37(2) . ?
C10 C17 1.51(2) . ?
C11 C12 1.39(2) . ?
C13 C14 1.458(18) . ?
C13 C16 1.478(18) . ?
C13 C15 1.558(19) . ?
C17 C18 1.45(2) . ?
C17 C20 1.50(2) . ?
C17 C19 1.53(2) . ?
C21 C26 1.384(18) . ?
C21 C22 1.40(2) . ?
C21 P1 1.834(14) . ?
C22 C23 1.39(2) . ?
C23 C24 1.38(2) . ?
C23 C33 1.48(2) . ?
C24 C25 1.37(2) . ?
C25 C26 1.37(2) . ?
C26 C27 1.517(19) . ?
C27 C32 1.38(2) . ?
C27 C28 1.40(2) . ?
C28 C29 1.38(2) . ?
C29 C30 1.43(2) . ?
C30 C31 1.35(3) . ?
C30 C37 1.50(2) . ?
C31 C32 1.34(2) . ?
C33 C34 1.49(2) . ?
C33 C34B 1.51(2) . ?
C33 C35B 1.52(2) . ?
C33 C36 1.52(2) . ?
C33 C36B 1.53(2) . ?
C33 C35 1.55(2) . ?
C37 C39 1.503(18) . ?
C37 C40 1.506(17) . ?
C37 C38 1.539(17) . ?
C41 C46 1.373(19) . ?
C41 C42 1.409(19) . ?
C41 P1 1.815(14) . ?
C42 C43 1.402(19) . ?
C43 C44 1.34(2) . ?
C43 C53 1.53(2) . ?
C44 C45 1.40(2) . ?
C45 C46 1.36(2) . ?
C46 C47 1.505(19) . ?
C47 C52 1.38(2) . ?
C47 C48 1.392(18) . ?
C48 C49 1.44(2) . ?
C49 C50 1.39(2) . ?
C50 C51 1.40(2) . ?
C50 C57 1.49(2) . ?
C51 C52 1.41(2) . ?
C53 C54 1.46(3) . ?
C53 C55 1.51(2) . ?
C53 C56 1.53(3) . ?
C57 C59 1.49(3) . ?
C57 C60 1.53(3) . ?
C57 C58 1.57(2) . ?
C61 C66 1.410(16) . ?
C61 C62 1.411(17) . ?
C61 P0C 1.804(12) . ?
C62 C63 1.358(19) . ?
C63 C64 1.42(2) . ?
C63 C73 1.53(2) . ?
C64 C65 1.41(2) . ?
C65 C66 1.384(17) . ?
C66 C67 1.480(17) . ?
C67 C72 1.386(18) . ?
C67 C68 1.41(2) . ?
C68 C69 1.384(19) . ?
C69 C70 1.42(2) . ?
C70 C71 1.35(2) . ?
C70 C77 1.55(2) . ?
C71 C72 1.42(2) . ?
C73 C74 1.48(2) . ?
C73 C76 1.52(2) . ?
C73 C75 1.53(3) . ?
C77 C78 1.49(3) . ?
C77 C80 1.52(2) . ?
C77 C79 1.58(3) . ?
C81 C82 1.365(19) . ?
C81 C86 1.420(17) . ?
C81 P0C 1.814(12) . ?
C82 C83 1.41(2) . ?
C83 C84 1.37(2) . ?
C83 C93 1.51(2) . ?
C84 C85 1.40(2) . ?
C85 C86 1.38(2) . ?
C86 C87 1.466(19) . ?
C87 C88 1.400(19) . ?
C87 C92 1.44(2) . ?
C88 C89 1.43(2) . ?
C89 C90 1.42(2) . ?
C90 C91 1.33(2) . ?
C90 C97 1.59(2) . ?
C91 C92 1.35(2) . ?
C93 C94 1.45(3) . ?
C93 C96 1.48(3) . ?
C93 C95 1.69(4) . ?
C97 C100 1.51(3) . ?
C97 C99 1.53(3) . ?
C97 C98 1.55(3) . ?
C101 C102 1.393(17) . ?
C101 C106 1.426(16) . ?
C101 P0C 1.825(12) . ?
C102 C103 1.355(19) . ?
C103 C104 1.46(2) . ?
C103 C113 1.500(19) . ?
C104 C105 1.37(2) . ?
C105 C106 1.406(17) . ?
C106 C107 1.491(18) . ?
C107 C108 1.386(19) . ?
C107 C112 1.401(19) . ?
C108 C109 1.388(19) . ?
C109 C110 1.409(19) . ?
C110 C111 1.411(18) . ?
C110 C117 1.501(19) . ?
C111 C112 1.400(19) . ?
C113 C115 1.50(2) . ?
C113 C114 1.50(2) . ?
C113 C116 1.56(2) . ?
C117 C118 1.52(2) . ?
C117 C119 1.54(2) . ?
C117 C120 1.59(2) . ?
C200 Cl3 1.675(19) . ?
C200 Cl4 1.79(2) . ?
F1 Sb1 1.857(11) . ?
F2 Sb1 1.844(10) . ?
F3 Sb1 1.844(12) . ?
F4 Sb1 1.864(11) . ?
F5 Sb1 1.833(11) . ?
F6 Sb1 1.855(12) . ?
F7 Sb2 1.869(11) . ?
F8 Sb2 1.849(11) . ?
F9 Sb2 1.913(13) . ?
F10 Sb2 1.862(13) . ?
F11 Sb2 1.791(14) . ?
F12 Sb2 1.872(11) . ?
F13 Sb3 1.876(9) . ?
F14 Sb3 1.867(9) . ?
F15 Sb3 1.864(10) . ?
F16 Sb3 1.861(9) . ?
F17 Sb3 1.860(10) . ?
F18 Sb3 1.876(11) . ?
F19 Sb4 1.866(12) . ?
F20 Sb4 1.884(12) . ?
F21 Sb4 1.783(18) . ?
F22 Sb4 1.810(12) . ?
F23 Sb4 1.823(12) . ?
F24 Sb4 1.824(16) . ?
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.111 0.500 1.141 358 101 ' '
2 0.091 0.113 0.736 20 1 ' '
3 0.107 0.310 0.841 13 1 ' '
4 0.107 0.763 0.188 19 1 ' '
5 0.190 0.033 0.992 171 42 ' '
6 0.119 0.217 0.223 10 0 ' '
7 0.173 0.706 0.868 9 0 ' '
8 0.388 0.500 0.641 358 101 ' '
9 0.310 1.033 0.492 170 42 ' '
10 0.326 0.706 0.368 8 0 ' '
11 0.393 0.310 0.341 13 1 ' '
12 0.380 0.217 0.723 10 0 ' '
13 0.392 0.763 0.688 20 1 ' '
14 0.408 0.113 0.236 20 1 ' '
15 0.611 0.500 1.141 357 100 ' '
16 0.591 0.887 0.736 20 1 ' '
17 0.607 0.690 0.841 13 1 ' '
18 0.607 0.237 0.188 20 1 ' '
19 0.690 0.967 0.992 172 42 ' '
20 0.619 0.783 0.223 10 0 ' '
21 0.673 0.294 0.868 9 1 ' '
22 0.888 0.500 0.641 357 100 ' '
23 0.810 -0.033 0.492 171 42 ' '
24 0.826 0.294 0.368 8 0 ' '
25 0.893 0.690 0.341 13 1 ' '
26 0.880 0.783 0.723 10 0 ' '
27 0.892 0.237 0.688 20 1 ' '
28 0.908 0.887 0.236 21 1 ' '
