#------------------------------------------------------------------------------
#$Date: 2021-10-06 16:46:28 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269613 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/87/7128782.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_7128782
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            'C66 H87 Ag Au F12 O P Sb2'
_chemical_formula_weight         1703.66
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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                112.837(3)
_cell_angle_beta                 102.452(2)
_cell_angle_gamma                94.349(3)
_cell_formula_units_Z            2
_cell_length_a                   13.5895(9)
_cell_length_b                   16.7018(12)
_cell_length_c                   18.5193(13)
_cell_measurement_reflns_used    9331
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.17
_cell_measurement_theta_min      2.27
_cell_volume                     3722.8(5)
_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      100(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_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  0.0746
_diffrn_reflns_av_unetI/netI     0.0455
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            120540
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.354
_diffrn_reflns_theta_min         2.025
_diffrn_source                   'IuS 3.0 Microfocus Source'
_exptl_absorpt_coefficient_mu    3.029
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5079
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ' Apex3 v2016.9-0 (Bruker, 2016)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_description       prism
_exptl_crystal_F_000             1684
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_platon_squeeze_details
;
Apart from a well-resolved pentane molecule, 
the unit cell contains another four 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         1.524
_refine_diff_density_min         -4.042
_refine_diff_density_rms         0.145
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     780
_refine_ls_number_reflns         18541
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0637P)²+17.1676P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1242
_refine_ls_wR_factor_ref         0.1388
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14275
_reflns_number_total             18541
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc02769g2.cif
_cod_data_source_block           jcm04121a_sq
_cod_depositor_comments
'Adding full bibliography for 7128779--7128784.cif.'
_cod_database_code               7128782
_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'
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 0.5000 0.5000 0.5000 0.04258(18) Uani 1 2 d S . P . .
Ag2 Ag 0.0000 0.5000 0.0000 0.03615(15) Uani 1 2 d S . P . .
Au1 Au 0.36265(2) 0.62021(2) 0.24952(2) 0.02884(7) Uani 1 1 d . . . . .
C1 C 0.1810(4) 0.7499(4) 0.2963(3) 0.0286(12) Uani 1 1 d . . . . .
C2 C 0.1755(4) 0.8383(4) 0.3334(4) 0.0323(12) Uani 1 1 d . . . . .
H2 H 0.2320 0.8776 0.3759 0.039 Uiso 1 1 calc R U . . .
C3 C 0.0880(5) 0.8714(4) 0.3094(4) 0.0357(13) Uani 1 1 d . . . . .
C4 C 0.0079(5) 0.8104(5) 0.2470(4) 0.0385(14) Uani 1 1 d . . . . .
H4 H -0.0524 0.8304 0.2291 0.046 Uiso 1 1 calc R U . . .
C5 C 0.0127(4) 0.7217(5) 0.2098(4) 0.0363(14) Uani 1 1 d . . . . .
H5 H -0.0445 0.6822 0.1682 0.044 Uiso 1 1 calc R U . . .
C6 C 0.0999(4) 0.6898(4) 0.2325(4) 0.0312(12) Uani 1 1 d . . . . .
C7 C 0.1003(4) 0.5929(4) 0.1898(3) 0.0311(12) Uani 1 1 d . . . . .
C8 C 0.1438(4) 0.5610(5) 0.1237(4) 0.0342(13) Uani 1 1 d . . . . .
H8 H 0.2019 0.6019 0.1242 0.041 Uiso 1 1 calc R U . . .
C9 C 0.1439(4) 0.4694(5) 0.0835(4) 0.0380(14) Uani 1 1 d . . . . .
H9 H 0.2025 0.4538 0.0591 0.046 Uiso 1 1 calc R U . . .
C10 C 0.1033(5) 0.4084(5) 0.1096(4) 0.0368(14) Uani 1 1 d . . . . .
C11 C 0.0599(4) 0.4418(5) 0.1740(4) 0.0353(13) Uani 1 1 d . . . . .
H11 H 0.0303 0.4020 0.1920 0.042 Uiso 1 1 calc R U . . .
C12 C 0.0581(4) 0.5316(4) 0.2134(4) 0.0315(12) Uani 1 1 d . . . . .
H12 H 0.0273 0.5513 0.2573 0.038 Uiso 1 1 calc R U . . .
C13 C 0.0787(5) 0.9678(5) 0.3499(5) 0.0465(17) Uani 1 1 d . . . . .
C14 C -0.0166(6) 0.9718(6) 0.3838(7) 0.076(3) Uani 1 1 d . . . . .
H14A H -0.0105 0.9409 0.4196 0.113 Uiso 1 1 calc R U . . .
H14B H -0.0785 0.9434 0.3386 0.113 Uiso 1 1 calc R U . . .
H14C H -0.0210 1.0335 0.4147 0.113 Uiso 1 1 calc R U . . .
C15 C 0.1719(6) 1.0237(5) 0.4199(5) 0.0542(19) Uani 1 1 d . . . . .
H15A H 0.2327 1.0224 0.3993 0.081 Uiso 1 1 calc R U . . .
H15B H 0.1820 0.9999 0.4611 0.081 Uiso 1 1 calc R U . . .
H15C H 0.1608 1.0847 0.4441 0.081 Uiso 1 1 calc R U . . .
C16 C 0.0640(8) 1.0064(6) 0.2871(6) 0.080(3) Uani 1 1 d . . . . .
H16A H 0.0497 1.0664 0.3114 0.120 Uiso 1 1 calc R U . . .
H16B H 0.0064 0.9695 0.2405 0.120 Uiso 1 1 calc R U . . .
H16C H 0.1264 1.0083 0.2690 0.120 Uiso 1 1 calc R U . . .
C17 C 0.1088(5) 0.3111(5) 0.0675(4) 0.0434(15) Uani 1 1 d . . . . .
C18 C 0.0554(8) 0.2559(6) 0.1002(6) 0.067(2) Uani 1 1 d . . . . .
H18A H 0.0534 0.1933 0.0673 0.101 Uiso 1 1 calc R U . . .
H18B H -0.0147 0.2673 0.0979 0.101 Uiso 1 1 calc R U . . .
H18C H 0.0926 0.2712 0.1567 0.101 Uiso 1 1 calc R U . . .
C19 C 0.2218(6) 0.3003(7) 0.0789(5) 0.068(3) Uani 1 1 d . . . . .
H19A H 0.2258 0.2377 0.0522 0.102 Uiso 1 1 calc R U . . .
H19B H 0.2560 0.3229 0.1370 0.102 Uiso 1 1 calc R U . . .
H19C H 0.2555 0.3335 0.0547 0.102 Uiso 1 1 calc R U . . .
C20 C 0.0596(6) 0.2779(6) -0.0241(4) 0.0551(19) Uani 1 1 d . . . . .
H20A H 0.0960 0.3122 -0.0460 0.083 Uiso 1 1 calc R U . . .
H20B H -0.0124 0.2851 -0.0333 0.083 Uiso 1 1 calc R U . . .
H20C H 0.0636 0.2154 -0.0515 0.083 Uiso 1 1 calc R U . . .
C21 C 0.2138(4) 0.6478(4) 0.3860(3) 0.0280(11) Uani 1 1 d . . . . .
C22 C 0.1279(4) 0.6795(4) 0.4086(3) 0.0281(11) Uani 1 1 d . . . . .
H22 H 0.1148 0.7342 0.4074 0.034 Uiso 1 1 calc R U . . .
C23 C 0.0609(4) 0.6343(4) 0.4326(3) 0.0277(11) Uani 1 1 d . . . . .
C24 C 0.0837(4) 0.5552(4) 0.4347(3) 0.0245(10) Uani 1 1 d . . . . .
H24 H 0.0401 0.5229 0.4515 0.029 Uiso 1 1 calc R U . . .
C25 C 0.1686(4) 0.5227(4) 0.4129(3) 0.0300(12) Uani 1 1 d . . . . .
H25 H 0.1803 0.4673 0.4127 0.036 Uiso 1 1 calc R U . . .
C26 C 0.2373(4) 0.5696(4) 0.3914(3) 0.0273(11) Uani 1 1 d . . . . .
C27 C 0.3315(4) 0.5352(4) 0.3725(3) 0.0286(11) Uani 1 1 d . . . . .
C28 C 0.4289(4) 0.5848(4) 0.4189(4) 0.0321(12) Uani 1 1 d . . . . .
H28 H 0.4354 0.6502 0.4482 0.038 Uiso 1 1 calc R U . . .
C29 C 0.5165(4) 0.5509(5) 0.4002(4) 0.0348(13) Uani 1 1 d . . . . .
H29 H 0.5791 0.5952 0.4141 0.042 Uiso 1 1 calc R U . . .
C30 C 0.5086(4) 0.4691(5) 0.3371(4) 0.0341(13) Uani 1 1 d . . . . .
C31 C 0.4111(4) 0.4209(5) 0.2930(4) 0.0346(13) Uani 1 1 d . . . . .
H31 H 0.4041 0.3646 0.2498 0.042 Uiso 1 1 calc R U . . .
C32 C 0.3231(4) 0.4531(4) 0.3104(4) 0.0335(13) Uani 1 1 d . . . . .
H32 H 0.2574 0.4185 0.2795 0.040 Uiso 1 1 calc R U . . .
C33 C -0.0322(5) 0.6735(4) 0.4548(4) 0.0381(14) Uani 1 1 d . . . . .
C34 C 0.0033(7) 0.7663(5) 0.5242(6) 0.057(2) Uani 1 1 d . . . . .
H34A H -0.0563 0.7902 0.5399 0.086 Uiso 1 1 calc R U . . .
H34B H 0.0391 0.8049 0.5060 0.086 Uiso 1 1 calc R U . . .
H34C H 0.0498 0.7630 0.5711 0.086 Uiso 1 1 calc R U . . .
C35 C -0.0965(5) 0.6160(5) 0.4817(4) 0.0410(15) Uani 1 1 d . . . . .
H35A H -0.0543 0.6114 0.5295 0.061 Uiso 1 1 calc R U . . .
H35B H -0.1207 0.5570 0.4373 0.061 Uiso 1 1 calc R U . . .
H35C H -0.1553 0.6431 0.4953 0.061 Uiso 1 1 calc R U . . .
C36 C -0.1007(5) 0.6802(6) 0.3796(5) 0.052(2) Uani 1 1 d . . . . .
H36A H -0.1612 0.7041 0.3931 0.077 Uiso 1 1 calc R U . . .
H36B H -0.1222 0.6213 0.3346 0.077 Uiso 1 1 calc R U . . .
H36C H -0.0619 0.7192 0.3634 0.077 Uiso 1 1 calc R U . . .
C37 C 0.6054(5) 0.4346(6) 0.3181(4) 0.0460(17) Uani 1 1 d . . . . .
C38 C 0.6664(5) 0.4204(5) 0.3908(4) 0.0426(15) Uani 1 1 d . . . . .
H38A H 0.6902 0.4773 0.4381 0.064 Uiso 1 1 calc R U . . .
H38B H 0.7255 0.3937 0.3773 0.064 Uiso 1 1 calc R U . . .
H38C H 0.6225 0.3810 0.4033 0.064 Uiso 1 1 calc R U . . .
C39 C 0.6712(6) 0.5046(7) 0.3044(5) 0.067(3) Uani 1 1 d . . . . .
H39A H 0.6307 0.5171 0.2606 0.100 Uiso 1 1 calc R U . . .
H39B H 0.7317 0.4819 0.2893 0.100 Uiso 1 1 calc R U . . .
H39C H 0.6930 0.5589 0.3545 0.100 Uiso 1 1 calc R U . . .
C40 C 0.5819(6) 0.3491(7) 0.2437(5) 0.076(3) Uani 1 1 d . . . . .
H40A H 0.5425 0.3037 0.2525 0.113 Uiso 1 1 calc R U . . .
H40B H 0.6461 0.3307 0.2332 0.113 Uiso 1 1 calc R U . . .
H40C H 0.5419 0.3570 0.1969 0.113 Uiso 1 1 calc R U . . .
C41 C 0.3727(4) 0.7978(4) 0.4273(4) 0.0282(11) Uani 1 1 d . . . . .
C42 C 0.3485(4) 0.8263(4) 0.5018(4) 0.0288(11) Uani 1 1 d . . . . .
H42 H 0.2841 0.8021 0.5037 0.035 Uiso 1 1 calc R U . . .
C43 C 0.4151(4) 0.8888(4) 0.5731(4) 0.0319(12) Uani 1 1 d . . . . .
C44 C 0.5078(5) 0.9247(4) 0.5682(4) 0.0396(14) Uani 1 1 d . . . . .
H44 H 0.5548 0.9685 0.6156 0.047 Uiso 1 1 calc R U . . .
C45 C 0.5319(5) 0.8966(4) 0.4941(4) 0.0367(13) Uani 1 1 d . . . . .
H45 H 0.5959 0.9218 0.4924 0.044 Uiso 1 1 calc R U . . .
C46 C 0.4666(4) 0.8332(4) 0.4224(4) 0.0297(12) Uani 1 1 d . . . . .
C47 C 0.5004(4) 0.8059(4) 0.3461(4) 0.0298(12) Uani 1 1 d . . . . .
C48 C 0.5962(4) 0.7807(5) 0.3462(4) 0.0421(15) Uani 1 1 d . . . . .
H48 H 0.6365 0.7768 0.3931 0.051 Uiso 1 1 calc R U . . .
C49 C 0.6323(5) 0.7615(5) 0.2783(4) 0.0484(18) Uani 1 1 d . . . . .
H49 H 0.6977 0.7447 0.2796 0.058 Uiso 1 1 calc R U . . .
C50 C 0.5761(4) 0.7657(4) 0.2077(4) 0.0370(14) Uani 1 1 d . . . . .
C51 C 0.4789(4) 0.7875(4) 0.2072(4) 0.0336(12) Uani 1 1 d . . . . .
H51 H 0.4371 0.7886 0.1595 0.040 Uiso 1 1 calc R U . . .
C52 C 0.4427(4) 0.8074(4) 0.2755(4) 0.0326(12) Uani 1 1 d . . . . .
H52 H 0.3764 0.8225 0.2738 0.039 Uiso 1 1 calc R U . . .
C53 C 0.3837(5) 0.9155(4) 0.6532(4) 0.0368(13) Uani 1 1 d . . . . .
C54 C 0.3033(7) 0.9746(7) 0.6530(5) 0.071(3) Uani 1 1 d . . . . .
H54A H 0.2448 0.9432 0.6053 0.107 Uiso 1 1 calc R U . . .
H54B H 0.3332 1.0287 0.6510 0.107 Uiso 1 1 calc R U . . .
H54C H 0.2801 0.9897 0.7025 0.107 Uiso 1 1 calc R U . . .
C55 C 0.4754(6) 0.9667(5) 0.7278(4) 0.0479(17) Uani 1 1 d . . . . .
H55A H 0.4531 0.9802 0.7775 0.072 Uiso 1 1 calc R U . . .
H55B H 0.5024 1.0218 0.7260 0.072 Uiso 1 1 calc R U . . .
H55C H 0.5291 0.9307 0.7274 0.072 Uiso 1 1 calc R U . . .
C56 C 0.3421(7) 0.8331(5) 0.6621(5) 0.055(2) Uani 1 1 d . . . . .
H56A H 0.3934 0.7946 0.6586 0.083 Uiso 1 1 calc R U . . .
H56B H 0.2794 0.8014 0.6186 0.083 Uiso 1 1 calc R U . . .
H56C H 0.3268 0.8506 0.7149 0.083 Uiso 1 1 calc R U . . .
C57 C 0.6199(6) 0.7479(6) 0.1343(5) 0.057(2) Uani 1 1 d . U . . .
C58 C 0.7292(8) 0.7608(12) 0.1552(7) 0.127(5) Uani 1 1 d . U . . .
H58A H 0.7538 0.7705 0.1128 0.190 Uiso 1 1 calc R U . . .
H58B H 0.7519 0.7084 0.1602 0.190 Uiso 1 1 calc R U . . .
H58C H 0.7570 0.8124 0.2072 0.190 Uiso 1 1 calc R U . . .
C59 C 0.5671(9) 0.6678(10) 0.0665(7) 0.125(5) Uani 1 1 d . U . . .
H59A H 0.5960 0.6597 0.0206 0.188 Uiso 1 1 calc R U . . .
H59B H 0.4943 0.6710 0.0511 0.188 Uiso 1 1 calc R U . . .
H59C H 0.5746 0.6179 0.0814 0.188 Uiso 1 1 calc R U . . .
C60 C 0.5910(13) 0.8165(12) 0.0991(9) 0.136(5) Uani 1 1 d . U . . .
H60A H 0.6312 0.8749 0.1364 0.203 Uiso 1 1 calc R U . . .
H60B H 0.5179 0.8188 0.0928 0.203 Uiso 1 1 calc R U . . .
H60C H 0.6056 0.7991 0.0461 0.203 Uiso 1 1 calc R U . . .
C61 C 0.4220(5) 0.5420(6) 0.1673(4) 0.0472(17) Uani 1 1 d . . . . .
C80 C 0.9154(7) 0.3172(7) 0.2850(6) 0.064(2) Uani 1 1 d D . . . .
H80A H 0.9033 0.3157 0.3348 0.096 Uiso 1 1 calc R U . . .
H80B H 0.9015 0.3730 0.2826 0.096 Uiso 1 1 calc R U . . .
H80C H 0.9869 0.3125 0.2851 0.096 Uiso 1 1 calc R U . . .
C81 C 0.8501(9) 0.2460(8) 0.2167(8) 0.107(5) Uani 1 1 d D . . . .
H81A H 0.8511 0.2556 0.1673 0.128 Uiso 1 1 calc R U . . .
H81B H 0.7792 0.2452 0.2222 0.128 Uiso 1 1 calc R U . . .
C82 C 0.8787(11) 0.1578(9) 0.2056(9) 0.114(5) Uani 1 1 d D . . . .
H82A H 0.9462 0.1568 0.1936 0.137 Uiso 1 1 calc R U . . .
H82B H 0.8870 0.1525 0.2579 0.137 Uiso 1 1 calc R U . . .
C83 C 0.8078(13) 0.0809(10) 0.1426(16) 0.231(15) Uani 1 1 d D . . . .
H83A H 0.7900 0.0932 0.0937 0.277 Uiso 1 1 calc R U . . .
H83B H 0.7445 0.0783 0.1605 0.277 Uiso 1 1 calc R U . . .
C84 C 0.8324(12) -0.0100(9) 0.1151(11) 0.148(7) Uani 1 1 d D . . . .
H84A H 0.8936 -0.0112 0.0951 0.222 Uiso 1 1 calc R U . . .
H84B H 0.7746 -0.0515 0.0714 0.222 Uiso 1 1 calc R U . . .
H84C H 0.8450 -0.0271 0.1608 0.222 Uiso 1 1 calc R U . . .
F1 F 0.2813(4) 0.2526(3) 0.2746(3) 0.0667(13) Uani 1 1 d . . . . .
F2 F 0.3087(3) 0.3715(3) 0.4270(2) 0.0448(9) Uani 1 1 d . . . . .
F3 F 0.4475(3) 0.2759(4) 0.3916(3) 0.0687(14) Uani 1 1 d . . . . .
F4 F 0.3297(5) 0.2475(3) 0.4786(3) 0.0710(15) Uani 1 1 d . . . . .
F5 F 0.3085(4) 0.1281(3) 0.3276(3) 0.0611(12) Uani 1 1 d . . . . .
F6 F 0.1662(3) 0.2269(3) 0.3625(4) 0.0711(15) Uani 1 1 d . . . . .
F7 F 0.6577(5) 0.4835(8) 0.1154(4) 0.152(4) Uani 1 1 d . . . . .
F8 F 0.6895(3) 0.4237(4) -0.0293(3) 0.0744(17) Uani 1 1 d . . . . .
F9 F 0.8373(5) 0.5377(4) 0.0916(3) 0.0810(16) Uani 1 1 d . . . . .
F10 F 0.8592(4) 0.3782(4) 0.0269(3) 0.0729(15) Uani 1 1 d . . . . .
F11 F 0.6869(5) 0.3207(6) 0.0500(5) 0.138(4) Uani 1 1 d . . . . .
F12 F 0.8290(3) 0.4391(5) 0.1746(3) 0.0827(19) Uani 1 1 d . . . . .
O1 O 0.4529(5) 0.4956(4) 0.1231(4) 0.0700(17) Uani 1 1 d . . . . .
P1 P 0.28391(10) 0.70622(10) 0.34224(9) 0.0266(3) Uani 1 1 d . . . . .
Sb1 Sb 0.30620(3) 0.24845(3) 0.37594(3) 0.03817(11) Uani 1 1 d . . . . .
Sb2 Sb 0.75770(3) 0.43108(5) 0.07346(3) 0.06205(18) 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'
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'
F F 0.0171 0.0103 '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'
P P 0.1023 0.0942 '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'
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
C29 Ag1 C29 180.0(3) . 2_666 ?
C29 Ag1 C28 146.8(2) . 2_666 ?
C29 Ag1 C28 33.2(2) 2_666 2_666 ?
C29 Ag1 C28 33.2(2) . . ?
C29 Ag1 C28 146.8(2) 2_666 . ?
C28 Ag1 C28 180.0(2) 2_666 . ?
C9 Ag2 C9 180.0 2_565 . ?
C9 Ag2 C8 33.7(2) 2_565 2_565 ?
C9 Ag2 C8 146.3(2) . 2_565 ?
C9 Ag2 C8 146.3(2) 2_565 . ?
C9 Ag2 C8 33.7(2) . . ?
C8 Ag2 C8 180.0(2) 2_565 . ?
C61 Au1 P1 176.6(2) . . ?
C2 C1 C6 121.2(5) . . ?
C2 C1 P1 119.5(4) . . ?
C6 C1 P1 118.3(5) . . ?
C1 C2 C3 121.4(6) . . ?
C1 C2 H2 119.3 . . ?
C3 C2 H2 119.3 . . ?
C4 C3 C2 116.4(6) . . ?
C4 C3 C13 120.9(5) . . ?
C2 C3 C13 122.7(6) . . ?
C5 C4 C3 122.6(6) . . ?
C5 C4 H4 118.7 . . ?
C3 C4 H4 118.7 . . ?
C4 C5 C6 120.7(6) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 117.7(6) . . ?
C5 C6 C7 118.2(5) . . ?
C1 C6 C7 124.1(5) . . ?
C12 C7 C8 117.7(6) . . ?
C12 C7 C6 121.8(5) . . ?
C8 C7 C6 120.5(5) . . ?
C7 C8 C9 120.3(6) . . ?
C7 C8 Ag2 106.4(3) . . ?
C9 C8 Ag2 72.2(3) . . ?
C7 C8 H8 116.4 . . ?
C9 C8 H8 116.4 . . ?
Ag2 C8 H8 116.4 . . ?
C10 C9 C8 121.3(6) . . ?
C10 C9 Ag2 107.0(4) . . ?
C8 C9 Ag2 74.1(3) . . ?
C10 C9 H9 115.6 . . ?
C8 C9 H9 115.6 . . ?
Ag2 C9 H9 115.6 . . ?
C11 C10 C9 116.9(6) . . ?
C11 C10 C17 123.2(6) . . ?
C9 C10 C17 120.0(6) . . ?
C10 C11 C12 122.4(6) . . ?
C10 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C11 C12 C7 121.3(6) . . ?
C11 C12 H12 119.3 . . ?
C7 C12 H12 119.3 . . ?
C3 C13 C16 109.3(7) . . ?
C3 C13 C15 113.3(5) . . ?
C16 C13 C15 108.5(7) . . ?
C3 C13 C14 107.6(6) . . ?
C16 C13 C14 109.6(7) . . ?
C15 C13 C14 108.4(7) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C10 112.0(6) . . ?
C18 C17 C19 109.5(7) . . ?
C10 C17 C19 109.1(6) . . ?
C18 C17 C20 109.3(7) . . ?
C10 C17 C20 109.2(6) . . ?
C19 C17 C20 107.5(6) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C26 C21 C22 119.5(5) . . ?
C26 C21 P1 123.0(4) . . ?
C22 C21 P1 117.2(4) . . ?
C23 C22 C21 122.5(5) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C22 C23 C24 117.0(5) . . ?
C22 C23 C33 118.8(5) . . ?
C24 C23 C33 124.2(5) . . ?
C25 C24 C23 121.5(5) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C24 C25 C26 121.4(5) . . ?
C24 C25 H25 119.3 . . ?
C26 C25 H25 119.3 . . ?
C25 C26 C21 118.0(5) . . ?
C25 C26 C27 120.3(5) . . ?
C21 C26 C27 121.7(5) . . ?
C32 C27 C28 119.4(5) . . ?
C32 C27 C26 120.1(5) . . ?
C28 C27 C26 120.5(5) . . ?
C27 C28 C29 119.4(6) . . ?
C27 C28 Ag1 104.0(4) . . ?
C29 C28 Ag1 66.5(3) . . ?
C27 C28 H28 118.1 . . ?
C29 C28 H28 118.1 . . ?
Ag1 C28 H28 118.1 . . ?
C30 C29 C28 121.5(5) . . ?
C30 C29 Ag1 97.4(4) . . ?
C28 C29 Ag1 80.3(3) . . ?
C30 C29 H29 116.4 . . ?
C28 C29 H29 116.4 . . ?
Ag1 C29 H29 116.4 . . ?
C29 C30 C31 117.8(5) . . ?
C29 C30 C37 120.0(5) . . ?
C31 C30 C37 122.1(6) . . ?
C30 C31 C32 121.8(6) . . ?
C30 C31 H31 119.1 . . ?
C32 C31 H31 119.1 . . ?
C27 C32 C31 120.1(5) . . ?
C27 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C23 C33 C34 109.7(5) . . ?
C23 C33 C35 111.8(5) . . ?
C34 C33 C35 108.9(6) . . ?
C23 C33 C36 109.0(5) . . ?
C34 C33 C36 109.0(6) . . ?
C35 C33 C36 108.4(5) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C40 C37 C38 108.6(7) . . ?
C40 C37 C30 112.5(6) . . ?
C38 C37 C30 109.0(5) . . ?
C40 C37 C39 108.7(7) . . ?
C38 C37 C39 109.2(6) . . ?
C30 C37 C39 108.7(7) . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C42 C41 C46 120.1(5) . . ?
C42 C41 P1 116.8(4) . . ?
C46 C41 P1 122.8(5) . . ?
C43 C42 C41 122.4(5) . . ?
C43 C42 H42 118.8 . . ?
C41 C42 H42 118.8 . . ?
C42 C43 C44 117.6(6) . . ?
C42 C43 C53 119.3(5) . . ?
C44 C43 C53 123.1(6) . . ?
C43 C44 C45 120.1(6) . . ?
C43 C44 H44 120.0 . . ?
C45 C44 H44 120.0 . . ?
C46 C45 C44 123.0(6) . . ?
C46 C45 H45 118.5 . . ?
C44 C45 H45 118.5 . . ?
C45 C46 C41 116.8(5) . . ?
C45 C46 C47 119.0(5) . . ?
C41 C46 C47 124.2(5) . . ?
C52 C47 C48 118.1(6) . . ?
C52 C47 C46 122.8(5) . . ?
C48 C47 C46 119.0(5) . . ?
C49 C48 C47 120.0(6) . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C49 C50 122.3(6) . . ?
C48 C49 H49 118.8 . . ?
C50 C49 H49 118.8 . . ?
C49 C50 C51 117.1(6) . . ?
C49 C50 C57 121.3(6) . . ?
C51 C50 C57 121.6(6) . . ?
C52 C51 C50 120.8(6) . . ?
C52 C51 H51 119.6 . . ?
C50 C51 H51 119.6 . . ?
C47 C52 C51 121.7(6) . . ?
C47 C52 H52 119.2 . . ?
C51 C52 H52 119.2 . . ?
C54 C53 C56 111.0(7) . . ?
C54 C53 C55 108.5(6) . . ?
C56 C53 C55 106.7(6) . . ?
C54 C53 C43 108.7(6) . . ?
C56 C53 C43 110.1(5) . . ?
C55 C53 C43 111.9(5) . . ?
C53 C54 H54A 109.5 . . ?
C53 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C53 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C53 C55 H55A 109.5 . . ?
C53 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C53 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
C53 C56 H56A 109.5 . . ?
C53 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C53 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C59 C57 C58 116.5(10) . . ?
C59 C57 C50 112.0(7) . . ?
C58 C57 C50 113.1(7) . . ?
C59 C57 C60 100.3(11) . . ?
C58 C57 C60 105.3(11) . . ?
C50 C57 C60 108.2(8) . . ?
C57 C58 H58A 109.5 . . ?
C57 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C57 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C57 C59 H59A 109.5 . . ?
C57 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C57 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C57 C60 H60A 109.5 . . ?
C57 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C57 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
O1 C61 Au1 176.3(8) . . ?
C81 C80 H80A 109.5 . . ?
C81 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C81 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C80 C81 C82 113.7(11) . . ?
C80 C81 H81A 108.8 . . ?
C82 C81 H81A 108.8 . . ?
C80 C81 H81B 108.8 . . ?
C82 C81 H81B 108.8 . . ?
H81A C81 H81B 107.7 . . ?
C83 C82 C81 116.6(13) . . ?
C83 C82 H82A 108.1 . . ?
C81 C82 H82A 108.1 . . ?
C83 C82 H82B 108.1 . . ?
C81 C82 H82B 108.1 . . ?
H82A C82 H82B 107.3 . . ?
C82 C83 C84 123.2(15) . . ?
C82 C83 H83A 106.5 . . ?
C84 C83 H83A 106.5 . . ?
C82 C83 H83B 106.5 . . ?
C84 C83 H83B 106.5 . . ?
H83A C83 H83B 106.5 . . ?
C83 C84 H84A 109.5 . . ?
C83 C84 H84B 109.5 . . ?
H84A C84 H84B 109.5 . . ?
C83 C84 H84C 109.5 . . ?
H84A C84 H84C 109.5 . . ?
H84B C84 H84C 109.5 . . ?
C41 P1 C1 108.7(3) . . ?
C41 P1 C21 106.4(3) . . ?
C1 P1 C21 100.4(2) . . ?
C41 P1 Au1 112.88(18) . . ?
C1 P1 Au1 112.50(19) . . ?
C21 P1 Au1 115.1(2) . . ?
F6 Sb1 F5 91.4(2) . . ?
F6 Sb1 F1 89.3(3) . . ?
F5 Sb1 F1 90.2(2) . . ?
F6 Sb1 F4 90.1(3) . . ?
F5 Sb1 F4 91.4(2) . . ?
F1 Sb1 F4 178.3(2) . . ?
F6 Sb1 F3 177.3(2) . . ?
F5 Sb1 F3 91.3(2) . . ?
F1 Sb1 F3 90.6(2) . . ?
F4 Sb1 F3 90.0(3) . . ?
F6 Sb1 F2 90.3(2) . . ?
F5 Sb1 F2 178.02(19) . . ?
F1 Sb1 F2 90.6(2) . . ?
F4 Sb1 F2 87.77(18) . . ?
F3 Sb1 F2 87.0(2) . . ?
F7 Sb2 F11 90.6(5) . . ?
F7 Sb2 F12 91.4(2) . . ?
F11 Sb2 F12 90.1(3) . . ?
F7 Sb2 F8 90.0(2) . . ?
F11 Sb2 F8 90.9(3) . . ?
F12 Sb2 F8 178.24(19) . . ?
F7 Sb2 F10 177.9(2) . . ?
F11 Sb2 F10 90.2(4) . . ?
F12 Sb2 F10 90.6(2) . . ?
F8 Sb2 F10 88.0(2) . . ?
F7 Sb2 F9 94.6(4) . . ?
F11 Sb2 F9 174.8(4) . . ?
F12 Sb2 F9 90.7(3) . . ?
F8 Sb2 F9 88.1(2) . . ?
F10 Sb2 F9 84.6(3) . . ?
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 C29 2.358(6) . ?
Ag1 C29 2.358(6) 2_666 ?
Ag1 C28 2.535(6) 2_666 ?
Ag1 C28 2.535(6) . ?
Ag2 C9 2.438(6) 2_565 ?
Ag2 C9 2.438(6) . ?
Ag2 C8 2.462(5) 2_565 ?
Ag2 C8 2.462(5) . ?
Au1 C61 1.954(8) . ?
Au1 P1 2.2952(15) . ?
C1 C2 1.382(9) . ?
C1 C6 1.402(8) . ?
C1 P1 1.827(5) . ?
C2 C3 1.407(8) . ?
C2 H2 0.9500 . ?
C3 C4 1.391(9) . ?
C3 C13 1.519(10) . ?
C4 C5 1.384(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(8) . ?
C5 H5 0.9500 . ?
C6 C7 1.502(9) . ?
C7 C12 1.390(8) . ?
C7 C8 1.410(8) . ?
C8 C9 1.419(10) . ?
C8 H8 1.0000 . ?
C9 C10 1.409(9) . ?
C9 H9 1.0000 . ?
C10 C11 1.385(8) . ?
C10 C17 1.521(10) . ?
C11 C12 1.397(9) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C16 1.518(11) . ?
C13 C15 1.526(10) . ?
C13 C14 1.552(11) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.506(11) . ?
C17 C19 1.538(10) . ?
C17 C20 1.535(9) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C26 1.403(8) . ?
C21 C22 1.396(8) . ?
C21 P1 1.824(5) . ?
C22 C23 1.389(7) . ?
C22 H22 0.9500 . ?
C23 C24 1.392(8) . ?
C23 C33 1.531(8) . ?
C24 C25 1.384(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.390(7) . ?
C25 H25 0.9500 . ?
C26 C27 1.496(8) . ?
C27 C32 1.383(9) . ?
C27 C28 1.403(8) . ?
C28 C29 1.408(8) . ?
C28 H28 1.0000 . ?
C29 C30 1.388(10) . ?
C29 H29 1.0000 . ?
C30 C31 1.390(8) . ?
C30 C37 1.530(8) . ?
C31 C32 1.397(8) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.536(11) . ?
C33 C35 1.535(8) . ?
C33 C36 1.549(9) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C40 1.502(12) . ?
C37 C38 1.534(9) . ?
C37 C39 1.549(11) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C42 1.395(8) . ?
C41 C46 1.401(7) . ?
C41 P1 1.819(6) . ?
C42 C43 1.386(8) . ?
C42 H42 0.9500 . ?
C43 C44 1.390(8) . ?
C43 C53 1.539(8) . ?
C44 C45 1.387(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.390(9) . ?
C45 H45 0.9500 . ?
C46 C47 1.493(8) . ?
C47 C52 1.383(8) . ?
C47 C48 1.399(8) . ?
C48 C49 1.379(10) . ?
C48 H48 0.9500 . ?
C49 C50 1.395(10) . ?
C49 H49 0.9500 . ?
C50 C51 1.395(8) . ?
C50 C57 1.535(9) . ?
C51 C52 1.385(8) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.528(10) . ?
C53 C56 1.530(10) . ?
C53 C55 1.540(9) . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C59 1.429(13) . ?
C57 C58 1.429(12) . ?
C57 C60 1.559(17) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 O1 1.075(9) . ?
C80 C81 1.412(13) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.499(12) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 C83 1.450(16) . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.492(15) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9800 . ?
C84 H84B 0.9800 . ?
C84 H84C 0.9800 . ?
F1 Sb1 1.864(5) . ?
F2 Sb1 1.893(4) . ?
F3 Sb1 1.872(4) . ?
F4 Sb1 1.866(4) . ?
F5 Sb1 1.861(5) . ?
F6 Sb1 1.853(4) . ?
F7 Sb2 1.823(6) . ?
F8 Sb2 1.880(4) . ?
F9 Sb2 1.882(6) . ?
F10 Sb2 1.879(5) . ?
F11 Sb2 1.856(8) . ?
F12 Sb2 1.862(4) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 0.8(8) . . . . ?
P1 C1 C2 C3 -167.7(4) . . . . ?
C1 C2 C3 C4 0.2(9) . . . . ?
C1 C2 C3 C13 178.8(6) . . . . ?
C2 C3 C4 C5 0.1(9) . . . . ?
C13 C3 C4 C5 -178.6(6) . . . . ?
C3 C4 C5 C6 -1.4(10) . . . . ?
C4 C5 C6 C1 2.3(9) . . . . ?
C4 C5 C6 C7 -180.0(5) . . . . ?
C2 C1 C6 C5 -2.1(8) . . . . ?
P1 C1 C6 C5 166.6(4) . . . . ?
C2 C1 C6 C7 -179.6(5) . . . . ?
P1 C1 C6 C7 -10.9(7) . . . . ?
C5 C6 C7 C12 -83.5(7) . . . . ?
C1 C6 C7 C12 94.1(7) . . . . ?
C5 C6 C7 C8 96.3(6) . . . . ?
C1 C6 C7 C8 -86.1(7) . . . . ?
C12 C7 C8 C9 -0.1(8) . . . . ?
C6 C7 C8 C9 -180.0(5) . . . . ?
C12 C7 C8 Ag2 78.5(5) . . . . ?
C6 C7 C8 Ag2 -101.3(5) . . . . ?
C7 C8 C9 C10 -1.6(8) . . . . ?
Ag2 C8 C9 C10 -100.5(5) . . . . ?
C7 C8 C9 Ag2 98.9(5) . . . . ?
C8 C9 C10 C11 2.4(8) . . . . ?
Ag2 C9 C10 C11 -79.0(6) . . . . ?
C8 C9 C10 C17 -177.3(5) . . . . ?
Ag2 C9 C10 C17 101.2(5) . . . . ?
C9 C10 C11 C12 -1.6(9) . . . . ?
C17 C10 C11 C12 178.1(5) . . . . ?
C10 C11 C12 C7 -0.1(9) . . . . ?
C8 C7 C12 C11 1.0(8) . . . . ?
C6 C7 C12 C11 -179.2(5) . . . . ?
C4 C3 C13 C16 -61.9(9) . . . . ?
C2 C3 C13 C16 119.6(7) . . . . ?
C4 C3 C13 C15 177.0(7) . . . . ?
C2 C3 C13 C15 -1.6(10) . . . . ?
C4 C3 C13 C14 57.1(9) . . . . ?
C2 C3 C13 C14 -121.4(7) . . . . ?
C11 C10 C17 C18 4.0(9) . . . . ?
C9 C10 C17 C18 -176.2(6) . . . . ?
C11 C10 C17 C19 -117.4(7) . . . . ?
C9 C10 C17 C19 62.3(8) . . . . ?
C11 C10 C17 C20 125.3(7) . . . . ?
C9 C10 C17 C20 -55.0(8) . . . . ?
C26 C21 C22 C23 -3.3(9) . . . . ?
P1 C21 C22 C23 171.4(4) . . . . ?
C21 C22 C23 C24 1.1(8) . . . . ?
C21 C22 C23 C33 -179.0(6) . . . . ?
C22 C23 C24 C25 -0.8(8) . . . . ?
C33 C23 C24 C25 179.3(6) . . . . ?
C23 C24 C25 C26 2.9(9) . . . . ?
C24 C25 C26 C21 -5.0(8) . . . . ?
C24 C25 C26 C27 176.7(5) . . . . ?
C22 C21 C26 C25 5.1(8) . . . . ?
P1 C21 C26 C25 -169.3(4) . . . . ?
C22 C21 C26 C27 -176.5(5) . . . . ?
P1 C21 C26 C27 9.0(8) . . . . ?
C25 C26 C27 C32 58.8(7) . . . . ?
C21 C26 C27 C32 -119.5(6) . . . . ?
C25 C26 C27 C28 -119.4(6) . . . . ?
C21 C26 C27 C28 62.3(7) . . . . ?
C32 C27 C28 C29 1.4(8) . . . . ?
C26 C27 C28 C29 179.7(5) . . . . ?
C32 C27 C28 Ag1 -69.2(6) . . . . ?
C26 C27 C28 Ag1 109.0(5) . . . . ?
C27 C28 C29 C30 -0.5(9) . . . . ?
Ag1 C28 C29 C30 92.8(5) . . . . ?
C27 C28 C29 Ag1 -93.3(5) . . . . ?
C28 C29 C30 C31 -0.4(8) . . . . ?
Ag1 C29 C30 C31 82.8(5) . . . . ?
C28 C29 C30 C37 179.5(5) . . . . ?
Ag1 C29 C30 C37 -97.3(5) . . . . ?
C29 C30 C31 C32 0.4(9) . . . . ?
C37 C30 C31 C32 -179.6(6) . . . . ?
C28 C27 C32 C31 -1.5(8) . . . . ?
C26 C27 C32 C31 -179.7(5) . . . . ?
C30 C31 C32 C27 0.6(9) . . . . ?
C22 C23 C33 C34 -57.9(7) . . . . ?
C24 C23 C33 C34 122.1(6) . . . . ?
C22 C23 C33 C35 -178.7(6) . . . . ?
C24 C23 C33 C35 1.2(9) . . . . ?
C22 C23 C33 C36 61.4(7) . . . . ?
C24 C23 C33 C36 -118.6(6) . . . . ?
C29 C30 C37 C40 -175.0(7) . . . . ?
C31 C30 C37 C40 4.9(10) . . . . ?
C29 C30 C37 C38 64.5(8) . . . . ?
C31 C30 C37 C38 -115.6(7) . . . . ?
C29 C30 C37 C39 -54.5(7) . . . . ?
C31 C30 C37 C39 125.4(7) . . . . ?
C46 C41 C42 C43 -0.9(9) . . . . ?
P1 C41 C42 C43 172.8(4) . . . . ?
C41 C42 C43 C44 1.5(9) . . . . ?
C41 C42 C43 C53 -178.8(5) . . . . ?
C42 C43 C44 C45 -1.3(9) . . . . ?
C53 C43 C44 C45 179.0(6) . . . . ?
C43 C44 C45 C46 0.5(10) . . . . ?
C44 C45 C46 C41 0.2(9) . . . . ?
C44 C45 C46 C47 -178.6(6) . . . . ?
C42 C41 C46 C45 0.0(8) . . . . ?
P1 C41 C46 C45 -173.3(4) . . . . ?
C42 C41 C46 C47 178.8(5) . . . . ?
P1 C41 C46 C47 5.5(8) . . . . ?
C45 C46 C47 C52 -126.6(6) . . . . ?
C41 C46 C47 C52 54.7(8) . . . . ?
C45 C46 C47 C48 50.9(8) . . . . ?
C41 C46 C47 C48 -127.8(6) . . . . ?
C52 C47 C48 C49 2.4(10) . . . . ?
C46 C47 C48 C49 -175.2(6) . . . . ?
C47 C48 C49 C50 -0.3(12) . . . . ?
C48 C49 C50 C51 -2.3(11) . . . . ?
C48 C49 C50 C57 177.3(7) . . . . ?
C49 C50 C51 C52 2.6(9) . . . . ?
C57 C50 C51 C52 -176.9(6) . . . . ?
C48 C47 C52 C51 -2.0(9) . . . . ?
C46 C47 C52 C51 175.5(5) . . . . ?
C50 C51 C52 C47 -0.5(9) . . . . ?
C42 C43 C53 C54 -74.4(8) . . . . ?
C44 C43 C53 C54 105.3(8) . . . . ?
C42 C43 C53 C56 47.3(8) . . . . ?
C44 C43 C53 C56 -133.0(7) . . . . ?
C42 C43 C53 C55 165.8(6) . . . . ?
C44 C43 C53 C55 -14.5(9) . . . . ?
C49 C50 C57 C59 111.5(11) . . . . ?
C51 C50 C57 C59 -68.9(12) . . . . ?
C49 C50 C57 C58 -22.6(13) . . . . ?
C51 C50 C57 C58 157.0(10) . . . . ?
C49 C50 C57 C60 -138.9(10) . . . . ?
C51 C50 C57 C60 40.6(11) . . . . ?
C80 C81 C82 C83 172.7(14) . . . . ?
C81 C82 C83 C84 170.1(18) . . . . ?
C42 C41 P1 C1 84.9(5) . . . . ?
C46 C41 P1 C1 -101.6(5) . . . . ?
C42 C41 P1 C21 -22.5(5) . . . . ?
C46 C41 P1 C21 151.0(5) . . . . ?
C42 C41 P1 Au1 -149.6(4) . . . . ?
C46 C41 P1 Au1 23.9(5) . . . . ?
C2 C1 P1 C41 -7.0(5) . . . . ?
C6 C1 P1 C41 -175.8(4) . . . . ?
C2 C1 P1 C21 104.5(5) . . . . ?
C6 C1 P1 C21 -64.4(5) . . . . ?
C2 C1 P1 Au1 -132.7(4) . . . . ?
C6 C1 P1 Au1 58.4(4) . . . . ?
C26 C21 P1 C41 -100.5(5) . . . . ?
C22 C21 P1 C41 84.9(5) . . . . ?
C26 C21 P1 C1 146.3(5) . . . . ?
C22 C21 P1 C1 -28.2(5) . . . . ?
C26 C21 P1 Au1 25.3(5) . . . . ?
C22 C21 P1 Au1 -149.3(4) . . . . ?
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 -0.017 0.000 0.000 509 167 ' '
