#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/49/4084925.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_4084925
loop_
_publ_author_name
'Hlina, Johann'
'Arp, Henning'
'Walewska, Małgorzata'
'Flörke, Ulrich'
'Zangger, Klaus'
'Marschner, Christoph'
'Baumgartner, Judith'
_publ_section_title
;
 Coordination Chemistry of Cyclic Disilylated Germylenes and Stannylenes
 with Group 11 Metals.
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              7069
_journal_page_last               7077
_journal_paper_doi               10.1021/om500668r
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C45.25 H124.5 Au2 N2 P2 Si16 Sn2'
_chemical_formula_weight         1839.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 109.54(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   32.214(6)
_cell_length_b                   12.094(2)
_cell_length_c                   23.532(5)
_cell_measurement_reflns_used    15918
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      52.500
_cell_measurement_theta_min      4.806
_cell_volume                     8640(3)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'SMART APEX'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0549
_diffrn_reflns_av_sigmaI/netI    0.0526
_diffrn_reflns_limit_h_max       40
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            67534
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    4.243
_exptl_absorpt_correction_T_max  0.4291
_exptl_absorpt_correction_T_min  0.3182
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             3688
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_platon_squeeze_details
;
;
_refine_diff_density_max         1.182
_refine_diff_density_min         -0.799
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     688
_refine_ls_number_reflns         17576
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_gt           0.0414
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0421P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0839
_refine_ls_wR_factor_ref         0.0906
_reflns_number_gt                13037
_reflns_number_total             17576
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om500668r_si_002.cif
_cod_data_source_block           12_814j
_cod_depositor_comments
'Adding full bibliography for 4084918--4084926.cif.'
_cod_original_cell_volume        8639(3)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_original_formula_sum        'C45.25 H124.50 Au2 N2 P2 Si16 Sn2'
_cod_database_code               4084925
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, 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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au2 Au 0.087420(8) 0.060384(18) 0.068612(9) 0.03938(8) Uani 0.9168(6) 1 d P A 1
P2 P 0.07932(5) -0.03067(13) -0.02081(7) 0.0438(4) Uani 0.9168(6) 1 d P A 1
N2 N 0.00147(18) 0.1700(5) 0.1857(2) 0.0637(16) Uani 0.9168(6) 1 d P A 1
C2 C 0.0355(2) 0.1719(5) 0.1812(3) 0.0455(14) Uani 0.9168(6) 1 d P A 1
C41 C 0.0463(3) -0.1537(6) -0.0313(3) 0.068(2) Uani 0.9168(6) 1 d P A 1
H41A H 0.0157 -0.1321 -0.0361 0.081 Uiso 0.9168(6) 1 calc PR A 1
H41B H 0.0459 -0.1899 -0.0692 0.081 Uiso 0.9168(6) 1 calc PR A 1
C42 C 0.0612(3) -0.2337(6) 0.0175(3) 0.094(3) Uani 0.9168(6) 1 d P A 1
H42A H 0.0885 -0.2685 0.0169 0.141 Uiso 0.9168(6) 1 calc PR A 1
H42B H 0.0386 -0.2906 0.0124 0.141 Uiso 0.9168(6) 1 calc PR A 1
H42C H 0.0666 -0.1961 0.0562 0.141 Uiso 0.9168(6) 1 calc PR A 1
C43 C 0.1324(2) -0.0698(7) -0.0270(3) 0.078(2) Uani 0.9168(6) 1 d P A 1
H43A H 0.1494 -0.0013 -0.0261 0.094 Uiso 0.9168(6) 1 calc PR A 1
H43B H 0.1486 -0.1134 0.0092 0.094 Uiso 0.9168(6) 1 calc PR A 1
C44 C 0.1315(3) -0.1351(7) -0.0816(4) 0.090(3) Uani 0.9168(6) 1 d P A 1
H44A H 0.1120 -0.1992 -0.0859 0.136 Uiso 0.9168(6) 1 calc PR A 1
H44B H 0.1613 -0.1605 -0.0770 0.136 Uiso 0.9168(6) 1 calc PR A 1
H44C H 0.1205 -0.0883 -0.1175 0.136 Uiso 0.9168(6) 1 calc PR A 1
C45 C 0.0561(3) 0.0551(6) -0.0870(3) 0.067(2) Uani 0.9168(6) 1 d P A 1
H45A H 0.0787 0.1095 -0.0883 0.081 Uiso 0.9168(6) 1 calc PR A 1
H45B H 0.0499 0.0075 -0.1231 0.081 Uiso 0.9168(6) 1 calc PR A 1
C46 C 0.0162(3) 0.1150(7) -0.0916(4) 0.104(3) Uani 0.9168(6) 1 d P A 1
H46A H -0.0066 0.0629 -0.0897 0.156 Uiso 0.9168(6) 1 calc PR A 1
H46B H 0.0059 0.1550 -0.1300 0.156 Uiso 0.9168(6) 1 calc PR A 1
H46C H 0.0222 0.1678 -0.0582 0.156 Uiso 0.9168(6) 1 calc PR A 1
Au3 Au 0.02302(8) 0.1095(2) 0.11246(11) 0.0423(8) Uani 0.0832(6) 1 d P . 2
P3 P 0.0501(5) -0.0640(15) -0.0667(9) 0.052(5) Uani 0.0832(6) 1 d P . 2
Au1 Au 0.420366(7) 0.563177(17) 0.491330(9) 0.04127(7) Uani 1 1 d . . .
Sn1 Sn 0.402005(11) 0.66331(3) 0.577125(14) 0.03325(9) Uani 1 1 d . . .
Sn2 Sn 0.099969(11) 0.16737(3) 0.167388(14) 0.03435(9) Uani 1 1 d . . .
Si1 Si 0.34261(5) 0.57817(11) 0.61585(6) 0.0346(3) Uani 1 1 d . . .
Si2 Si 0.29933(5) 0.73002(13) 0.62477(7) 0.0427(4) Uani 1 1 d . . .
Si3 Si 0.31065(5) 0.88056(13) 0.56802(7) 0.0433(4) Uani 1 1 d . . .
Si4 Si 0.38121(4) 0.87026(12) 0.55974(6) 0.0348(3) Uani 1 1 d . . .
Si5 Si 0.37804(6) 0.47074(18) 0.70208(8) 0.0634(5) Uani 1 1 d . . .
Si6 Si 0.30321(5) 0.46248(13) 0.53586(7) 0.0457(4) Uani 1 1 d . . .
Si7 Si 0.43320(5) 0.97495(13) 0.63354(7) 0.0477(4) Uani 1 1 d . . .
Si8 Si 0.38100(5) 0.91435(13) 0.46269(7) 0.0432(4) Uani 1 1 d . . .
Si9 Si 0.12189(5) 0.37281(11) 0.16785(6) 0.0335(3) Uani 1 1 d . A .
Si10 Si 0.18895(5) 0.38580(13) 0.24771(7) 0.0429(4) Uani 1 1 d . . .
Si11 Si 0.19006(5) 0.25113(12) 0.32025(6) 0.0388(3) Uani 1 1 d . A .
Si12 Si 0.15023(5) 0.09511(11) 0.27104(6) 0.0345(3) Uani 1 1 d . A .
Si13 Si 0.06405(5) 0.47760(13) 0.17910(7) 0.0432(4) Uani 1 1 d . . .
Si14 Si 0.13211(5) 0.41196(14) 0.07599(7) 0.0472(4) Uani 1 1 d . . .
Si15 Si 0.10669(6) 0.01832(14) 0.32311(7) 0.0501(4) Uani 1 1 d . . .
Si16 Si 0.19487(6) -0.03722(14) 0.24712(8) 0.0538(4) Uani 1 1 d . . .
P1 P 0.43140(6) 0.48174(14) 0.40854(7) 0.0602(4) Uani 1 1 d . . .
C1 C 0.46076(18) 0.6689(4) 0.6571(2) 0.0430(13) Uani 1 1 d . . .
N1 N 0.49224(18) 0.6706(4) 0.6980(2) 0.0671(15) Uani 1 1 d . . .
C3 C 0.23884(18) 0.6948(5) 0.5937(3) 0.0695(19) Uani 1 1 d . . .
H3A H 0.2330 0.6293 0.6144 0.104 Uiso 1 1 calc R . .
H3B H 0.2305 0.6795 0.5504 0.104 Uiso 1 1 calc R . .
H3C H 0.2215 0.7572 0.6001 0.104 Uiso 1 1 calc R . .
C4 C 0.3123(2) 0.7755(6) 0.7055(3) 0.0707(19) Uani 1 1 d . . .
H4A H 0.2941 0.8396 0.7070 0.106 Uiso 1 1 calc R . .
H4B H 0.3435 0.7956 0.7224 0.106 Uiso 1 1 calc R . .
H4C H 0.3061 0.7148 0.7291 0.106 Uiso 1 1 calc R . .
C5 C 0.3016(2) 1.0147(5) 0.6038(3) 0.074(2) Uani 1 1 d . . .
H5A H 0.3054 1.0773 0.5796 0.111 Uiso 1 1 calc R . .
H5B H 0.3230 1.0204 0.6447 0.111 Uiso 1 1 calc R . .
H5C H 0.2716 1.0159 0.6057 0.111 Uiso 1 1 calc R . .
C6 C 0.26675(19) 0.8739(6) 0.4913(3) 0.0697(19) Uani 1 1 d . . .
H6A H 0.2376 0.8771 0.4957 0.105 Uiso 1 1 calc R . .
H6B H 0.2696 0.8046 0.4714 0.105 Uiso 1 1 calc R . .
H6C H 0.2702 0.9366 0.4668 0.105 Uiso 1 1 calc R . .
C7 C 0.3942(3) 0.5575(10) 0.7706(3) 0.180(7) Uani 1 1 d . . .
H7A H 0.4125 0.5141 0.8050 0.269 Uiso 1 1 calc R . .
H7B H 0.3677 0.5830 0.7784 0.269 Uiso 1 1 calc R . .
H7C H 0.4110 0.6215 0.7647 0.269 Uiso 1 1 calc R . .
C8 C 0.4281(2) 0.4056(5) 0.6952(3) 0.0566(16) Uani 1 1 d . . .
H8A H 0.4506 0.4624 0.6988 0.085 Uiso 1 1 calc R . .
H8B H 0.4208 0.3693 0.6558 0.085 Uiso 1 1 calc R . .
H8C H 0.4395 0.3507 0.7272 0.085 Uiso 1 1 calc R . .
C9 C 0.3406(3) 0.3562(10) 0.7097(5) 0.196(7) Uani 1 1 d . . .
H9A H 0.3279 0.3186 0.6709 0.294 Uiso 1 1 calc R . .
H9B H 0.3169 0.3874 0.7221 0.294 Uiso 1 1 calc R . .
H9C H 0.3576 0.3032 0.7401 0.294 Uiso 1 1 calc R . .
C10 C 0.2553(2) 0.3924(6) 0.5503(3) 0.0718(19) Uani 1 1 d . . .
H10A H 0.2385 0.3495 0.5146 0.108 Uiso 1 1 calc R . .
H10B H 0.2361 0.4484 0.5586 0.108 Uiso 1 1 calc R . .
H10C H 0.2664 0.3428 0.5850 0.108 Uiso 1 1 calc R . .
C11 C 0.3406(2) 0.3538(5) 0.5239(3) 0.0659(18) Uani 1 1 d . . .
H11A H 0.3233 0.3002 0.4941 0.099 Uiso 1 1 calc R . .
H11B H 0.3554 0.3158 0.5622 0.099 Uiso 1 1 calc R . .
H11C H 0.3627 0.3882 0.5093 0.099 Uiso 1 1 calc R . .
C12 C 0.2813(2) 0.5445(5) 0.4648(3) 0.0661(18) Uani 1 1 d . . .
H12A H 0.3058 0.5794 0.4556 0.099 Uiso 1 1 calc R . .
H12B H 0.2613 0.6018 0.4698 0.099 Uiso 1 1 calc R . .
H12C H 0.2653 0.4954 0.4315 0.099 Uiso 1 1 calc R . .
C13 C 0.4210(3) 1.1253(5) 0.6189(4) 0.089(2) Uani 1 1 d . . .
H13A H 0.3902 1.1396 0.6150 0.133 Uiso 1 1 calc R . .
H13B H 0.4259 1.1465 0.5814 0.133 Uiso 1 1 calc R . .
H13C H 0.4404 1.1687 0.6524 0.133 Uiso 1 1 calc R . .
C14 C 0.4904(2) 0.9512(6) 0.6333(3) 0.0698(19) Uani 1 1 d . . .
H14A H 0.5110 0.9972 0.6644 0.105 Uiso 1 1 calc R . .
H14B H 0.4921 0.9709 0.5937 0.105 Uiso 1 1 calc R . .
H14C H 0.4982 0.8731 0.6416 0.105 Uiso 1 1 calc R . .
C15 C 0.4313(2) 0.9384(5) 0.7100(3) 0.0684(19) Uani 1 1 d . . .
H15A H 0.4524 0.9843 0.7405 0.103 Uiso 1 1 calc R . .
H15B H 0.4389 0.8602 0.7183 0.103 Uiso 1 1 calc R . .
H15C H 0.4015 0.9517 0.7111 0.103 Uiso 1 1 calc R . .
C16 C 0.3506(2) 0.8072(5) 0.4062(2) 0.0586(16) Uani 1 1 d . . .
H16A H 0.3498 0.8296 0.3659 0.088 Uiso 1 1 calc R . .
H16B H 0.3205 0.8002 0.4068 0.088 Uiso 1 1 calc R . .
H16C H 0.3657 0.7359 0.4166 0.088 Uiso 1 1 calc R . .
C17 C 0.43875(18) 0.9187(5) 0.4620(3) 0.0551(16) Uani 1 1 d . . .
H17A H 0.4540 0.8502 0.4793 0.083 Uiso 1 1 calc R . .
H17B H 0.4542 0.9819 0.4859 0.083 Uiso 1 1 calc R . .
H17C H 0.4384 0.9264 0.4204 0.083 Uiso 1 1 calc R . .
C18 C 0.3543(2) 1.0531(5) 0.4384(3) 0.0704(19) Uani 1 1 d . . .
H18A H 0.3549 1.0707 0.3980 0.106 Uiso 1 1 calc R . .
H18B H 0.3705 1.1099 0.4669 0.106 Uiso 1 1 calc R . .
H18C H 0.3238 1.0507 0.4377 0.106 Uiso 1 1 calc R . .
C19 C 0.4743(2) 0.5449(5) 0.3855(3) 0.0594(17) Uani 1 1 d . . .
H19A H 0.5031 0.5323 0.4174 0.071 Uiso 1 1 calc R . .
H19B H 0.4752 0.5078 0.3484 0.071 Uiso 1 1 calc R . .
C20 C 0.4683(3) 0.6662(6) 0.3738(4) 0.095(3) Uani 1 1 d . . .
H20A H 0.4379 0.6809 0.3483 0.142 Uiso 1 1 calc R . .
H20B H 0.4885 0.6917 0.3533 0.142 Uiso 1 1 calc R . .
H20C H 0.4746 0.7056 0.4122 0.142 Uiso 1 1 calc R . .
C21 C 0.3834(3) 0.4903(12) 0.3404(4) 0.158(5) Uani 1 1 d . . .
H21A H 0.3827 0.5654 0.3233 0.189 Uiso 1 1 calc R . .
H21B H 0.3877 0.4376 0.3107 0.189 Uiso 1 1 calc R . .
C22 C 0.3406(5) 0.4688(14) 0.3454(6) 0.236(8) Uani 1 1 d . . .
H22A H 0.3179 0.4757 0.3056 0.354 Uiso 1 1 calc R . .
H22B H 0.3349 0.5223 0.3731 0.354 Uiso 1 1 calc R . .
H22C H 0.3401 0.3937 0.3608 0.354 Uiso 1 1 calc R . .
C23 C 0.4483(7) 0.3396(7) 0.4186(7) 0.267(11) Uani 1 1 d . . .
H23A H 0.4282 0.3010 0.3829 0.320 Uiso 1 1 calc R . .
H23B H 0.4776 0.3385 0.4138 0.320 Uiso 1 1 calc R . .
C24 C 0.4517(4) 0.2769(8) 0.4613(4) 0.152(5) Uani 1 1 d . . .
H24A H 0.4786 0.2327 0.4698 0.228 Uiso 1 1 calc R . .
H24B H 0.4261 0.2277 0.4510 0.228 Uiso 1 1 calc R . .
H24C H 0.4531 0.3205 0.4970 0.228 Uiso 1 1 calc R . .
C25 C 0.1965(2) 0.5291(5) 0.2827(3) 0.076(2) Uani 1 1 d . A .
H25A H 0.2249 0.5329 0.3153 0.113 Uiso 1 1 calc R . .
H25B H 0.1727 0.5440 0.2989 0.113 Uiso 1 1 calc R . .
H25C H 0.1957 0.5843 0.2518 0.113 Uiso 1 1 calc R . .
C26 C 0.2363(2) 0.3570(7) 0.2198(3) 0.082(2) Uani 1 1 d . A .
H26A H 0.2388 0.4173 0.1933 0.123 Uiso 1 1 calc R . .
H26B H 0.2311 0.2872 0.1974 0.123 Uiso 1 1 calc R . .
H26C H 0.2637 0.3517 0.2543 0.123 Uiso 1 1 calc R . .
C27 C 0.24904(18) 0.2143(5) 0.3656(3) 0.0631(17) Uani 1 1 d . . .
H27A H 0.2642 0.2800 0.3870 0.095 Uiso 1 1 calc R A .
H27B H 0.2641 0.1875 0.3384 0.095 Uiso 1 1 calc R . .
H27C H 0.2493 0.1564 0.3948 0.095 Uiso 1 1 calc R . .
C28 C 0.1653(2) 0.3128(5) 0.3749(2) 0.0567(16) Uani 1 1 d . . .
H28A H 0.1660 0.2581 0.4060 0.085 Uiso 1 1 calc R A .
H28B H 0.1347 0.3342 0.3533 0.085 Uiso 1 1 calc R . .
H28C H 0.1822 0.3781 0.3940 0.085 Uiso 1 1 calc R . .
C29 C 0.0577(2) 0.4505(5) 0.2537(2) 0.0567(16) Uani 1 1 d . A .
H29A H 0.0338 0.4961 0.2579 0.085 Uiso 1 1 calc R . .
H29B H 0.0852 0.4689 0.2859 0.085 Uiso 1 1 calc R . .
H29C H 0.0508 0.3722 0.2566 0.085 Uiso 1 1 calc R . .
C30 C 0.0741(3) 0.6288(5) 0.1744(3) 0.083(2) Uani 1 1 d . A .
H30A H 0.0501 0.6706 0.1811 0.124 Uiso 1 1 calc R . .
H30B H 0.0754 0.6464 0.1343 0.124 Uiso 1 1 calc R . .
H30C H 0.1021 0.6489 0.2052 0.124 Uiso 1 1 calc R . .
C31 C 0.0119(2) 0.4393(6) 0.1166(3) 0.0691(19) Uani 1 1 d . A .
H31A H 0.0143 0.3632 0.1036 0.104 Uiso 1 1 calc R . .
H31B H 0.0076 0.4897 0.0825 0.104 Uiso 1 1 calc R . .
H31C H -0.0131 0.4449 0.1312 0.104 Uiso 1 1 calc R . .
C32 C 0.1611(2) 0.5478(5) 0.0813(3) 0.0664(18) Uani 1 1 d . A .
H32A H 0.1903 0.5433 0.1122 0.100 Uiso 1 1 calc R . .
H32B H 0.1438 0.6059 0.0921 0.100 Uiso 1 1 calc R . .
H32C H 0.1642 0.5654 0.0423 0.100 Uiso 1 1 calc R . .
C33 C 0.1662(2) 0.3047(5) 0.0551(3) 0.0702(19) Uani 1 1 d . A .
H33A H 0.1694 0.3239 0.0163 0.105 Uiso 1 1 calc R . .
H33B H 0.1518 0.2325 0.0518 0.105 Uiso 1 1 calc R . .
H33C H 0.1954 0.3014 0.0862 0.105 Uiso 1 1 calc R . .
C34 C 0.0775(2) 0.4182(7) 0.0137(3) 0.083(2) Uani 1 1 d . A .
H34A H 0.0822 0.4313 -0.0248 0.125 Uiso 1 1 calc R . .
H34B H 0.0598 0.4785 0.0216 0.125 Uiso 1 1 calc R . .
H34C H 0.0619 0.3480 0.0118 0.125 Uiso 1 1 calc R . .
C35 C 0.0733(2) -0.0981(5) 0.2780(3) 0.074(2) Uani 1 1 d . A .
H35A H 0.0529 -0.1254 0.2978 0.111 Uiso 1 1 calc R . .
H35B H 0.0929 -0.1581 0.2751 0.111 Uiso 1 1 calc R . .
H35C H 0.0565 -0.0717 0.2374 0.111 Uiso 1 1 calc R . .
C36 C 0.1432(3) -0.0361(6) 0.3980(3) 0.086(2) Uani 1 1 d . A .
H36A H 0.1249 -0.0681 0.4199 0.129 Uiso 1 1 calc R . .
H36B H 0.1608 0.0246 0.4217 0.129 Uiso 1 1 calc R . .
H36C H 0.1627 -0.0931 0.3916 0.129 Uiso 1 1 calc R . .
C37 C 0.0707(2) 0.1260(6) 0.3389(3) 0.075(2) Uani 1 1 d . A .
H37A H 0.0485 0.1494 0.3010 0.112 Uiso 1 1 calc R . .
H37B H 0.0886 0.1898 0.3583 0.112 Uiso 1 1 calc R . .
H37C H 0.0560 0.0955 0.3658 0.112 Uiso 1 1 calc R . .
C38 C 0.2307(4) -0.1106(9) 0.3133(4) 0.169(6) Uani 1 1 d . A .
H38A H 0.2128 -0.1561 0.3306 0.254 Uiso 1 1 calc R . .
H38B H 0.2476 -0.0569 0.3434 0.254 Uiso 1 1 calc R . .
H38C H 0.2511 -0.1581 0.3014 0.254 Uiso 1 1 calc R . .
C39 C 0.1611(2) -0.1414(5) 0.1928(3) 0.0659(18) Uani 1 1 d . A .
H39A H 0.1805 -0.1973 0.1849 0.099 Uiso 1 1 calc R . .
H39B H 0.1443 -0.1045 0.1550 0.099 Uiso 1 1 calc R . .
H39C H 0.1407 -0.1771 0.2100 0.099 Uiso 1 1 calc R . .
C40 C 0.2299(3) 0.0340(7) 0.2092(5) 0.145(5) Uani 1 1 d . A .
H40A H 0.2426 0.1011 0.2317 0.218 Uiso 1 1 calc R . .
H40B H 0.2118 0.0538 0.1679 0.218 Uiso 1 1 calc R . .
H40C H 0.2536 -0.0156 0.2080 0.218 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
Sn Sn -0.6537 1.4246 '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
P2 Au2 Sn2 176.91(4) .
C41 P2 C45 107.5(3) .
C41 P2 C43 107.5(4) .
C45 P2 C43 102.1(4) .
C41 P2 Au2 113.6(2) .
C45 P2 Au2 113.5(2) .
C43 P2 Au2 111.9(2) .
N2 C2 Sn2 176.2(5) .
C42 C41 P2 114.7(5) .
C44 C43 P2 117.0(5) .
C46 C45 P2 116.9(5) .
P3 Au3 Sn2 175.5(6) 3
P1 Au1 Sn1 174.83(5) .
C1 Sn1 Au1 109.21(14) .
C1 Sn1 Si4 102.17(14) .
Au1 Sn1 Si4 116.36(3) .
C1 Sn1 Si1 103.83(15) .
Au1 Sn1 Si1 118.48(4) .
Si4 Sn1 Si1 104.91(5) .
C2 Sn2 Au3 42.16(16) .
C2 Sn2 Au2 105.91(15) .
Au3 Sn2 Au2 63.88(7) .
C2 Sn2 Si9 104.18(16) .
Au3 Sn2 Si9 119.85(7) .
Au2 Sn2 Si9 116.62(3) .
C2 Sn2 Si12 101.11(15) .
Au3 Sn2 Si12 126.63(7) .
Au2 Sn2 Si12 122.82(4) .
Si9 Sn2 Si12 103.71(5) .
Si6 Si1 Si2 111.00(8) .
Si6 Si1 Si5 109.75(9) .
Si2 Si1 Si5 118.89(8) .
Si6 Si1 Sn1 102.68(6) .
Si2 Si1 Sn1 104.48(6) .
Si5 Si1 Sn1 108.65(7) .
C4 Si2 C3 108.0(3) .
C4 Si2 Si3 108.7(2) .
C3 Si2 Si3 106.9(2) .
C4 Si2 Si1 112.2(2) .
C3 Si2 Si1 110.8(2) .
Si3 Si2 Si1 110.06(7) .
C6 Si3 C5 106.5(3) .
C6 Si3 Si4 110.8(2) .
C5 Si3 Si4 112.3(2) .
C6 Si3 Si2 107.5(2) .
C5 Si3 Si2 109.5(2) .
Si4 Si3 Si2 110.09(8) .
Si7 Si4 Si8 111.61(8) .
Si7 Si4 Si3 112.45(8) .
Si8 Si4 Si3 112.42(8) .
Si7 Si4 Sn1 108.83(7) .
Si8 Si4 Sn1 106.88(6) .
Si3 Si4 Sn1 104.16(6) .
C7 Si5 C8 108.6(3) .
C7 Si5 C9 109.7(6) .
C8 Si5 C9 107.5(4) .
C7 Si5 Si1 110.6(3) .
C8 Si5 Si1 110.1(2) .
C9 Si5 Si1 110.3(3) .
C11 Si6 C12 108.0(3) .
C11 Si6 C10 108.5(3) .
C12 Si6 C10 108.2(3) .
C11 Si6 Si1 109.7(2) .
C12 Si6 Si1 110.0(2) .
C10 Si6 Si1 112.3(2) .
C13 Si7 C14 107.2(3) .
C13 Si7 C15 109.5(3) .
C14 Si7 C15 108.5(3) .
C13 Si7 Si4 109.6(2) .
C14 Si7 Si4 112.1(2) .
C15 Si7 Si4 109.9(2) .
C17 Si8 C16 107.3(3) .
C17 Si8 C18 109.1(3) .
C16 Si8 C18 108.8(3) .
C17 Si8 Si4 109.71(19) .
C16 Si8 Si4 111.31(19) .
C18 Si8 Si4 110.5(2) .
Si13 Si9 Si14 110.98(8) .
Si13 Si9 Si10 115.32(8) .
Si14 Si9 Si10 110.47(8) .
Si13 Si9 Sn2 107.13(7) .
Si14 Si9 Sn2 108.27(6) .
Si10 Si9 Sn2 104.18(6) .
C26 Si10 C25 108.5(3) .
C26 Si10 Si9 110.2(2) .
C25 Si10 Si9 111.0(2) .
C26 Si10 Si11 107.9(2) .
C25 Si10 Si11 110.4(2) .
Si9 Si10 Si11 108.75(8) .
C28 Si11 C27 106.5(3) .
C28 Si11 Si10 108.39(19) .
C27 Si11 Si10 109.9(2) .
C28 Si11 Si12 111.6(2) .
C27 Si11 Si12 111.5(2) .
Si10 Si11 Si12 108.93(7) .
Si15 Si12 Si16 112.22(9) .
Si15 Si12 Si11 112.55(8) .
Si16 Si12 Si11 112.82(8) .
Si15 Si12 Sn2 109.38(7) .
Si16 Si12 Sn2 104.19(7) .
Si11 Si12 Sn2 105.01(6) .
C29 Si13 C30 107.7(3) .
C29 Si13 C31 110.0(3) .
C30 Si13 C31 108.8(3) .
C29 Si13 Si9 110.71(19) .
C30 Si13 Si9 111.3(2) .
C31 Si13 Si9 108.3(2) .
C33 Si14 C32 107.6(3) .
C33 Si14 C34 107.6(3) .
C32 Si14 C34 109.4(3) .
C33 Si14 Si9 112.3(2) .
C32 Si14 Si9 109.7(2) .
C34 Si14 Si9 110.1(2) .
C37 Si15 C35 111.1(3) .
C37 Si15 C36 107.0(3) .
C35 Si15 C36 109.2(3) .
C37 Si15 Si12 110.5(2) .
C35 Si15 Si12 109.4(2) .
C36 Si15 Si12 109.5(2) .
C38 Si16 C39 108.3(4) .
C38 Si16 C40 108.7(6) .
C39 Si16 C40 106.9(4) .
C38 Si16 Si12 113.0(3) .
C39 Si16 Si12 111.2(2) .
C40 Si16 Si12 108.5(3) .
C23 P1 C19 102.4(5) .
C23 P1 C21 107.6(8) .
C19 P1 C21 102.8(4) .
C23 P1 Au1 114.9(3) .
C19 P1 Au1 114.8(2) .
C21 P1 Au1 113.1(3) .
N1 C1 Sn1 178.0(5) .
C20 C19 P1 113.8(4) .
C22 C21 P1 118.0(9) .
C24 C23 P1 129.6(8) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au2 P2 2.3111(15) .
Au2 Sn2 2.5713(6) .
P2 C41 1.798(7) .
P2 C45 1.812(7) .
P2 C43 1.825(7) .
N2 C2 1.137(7) .
C2 Sn2 2.207(6) .
C41 C42 1.455(9) .
C43 C44 1.501(9) .
C45 C46 1.446(10) .
Au3 P3 2.306(16) 3
Au3 Sn2 2.482(3) .
P3 Au3 2.306(16) 3
Au1 P1 2.3141(15) .
Au1 Sn1 2.5867(6) .
Sn1 C1 2.178(5) .
Sn1 Si4 2.5878(15) .
Sn1 Si1 2.5918(15) .
Sn2 Si9 2.5820(15) .
Sn2 Si12 2.5869(16) .
Si1 Si6 2.348(2) .
Si1 Si2 2.357(2) .
Si1 Si5 2.358(2) .
Si2 C4 1.885(6) .
Si2 C3 1.887(6) .
Si2 Si3 2.357(2) .
Si3 C6 1.887(6) .
Si3 C5 1.896(6) .
Si3 Si4 2.349(2) .
Si4 Si7 2.340(2) .
Si4 Si8 2.343(2) .
Si5 C7 1.846(8) .
Si5 C8 1.851(6) .
Si5 C9 1.884(9) .
Si6 C11 1.866(6) .
Si6 C12 1.869(6) .
Si6 C10 1.889(6) .
Si7 C13 1.868(7) .
Si7 C14 1.867(6) .
Si7 C15 1.873(6) .
Si8 C17 1.867(6) .
Si8 C16 1.880(6) .
Si8 C18 1.884(6) .
Si9 Si13 2.340(2) .
Si9 Si14 2.341(2) .
Si9 Si10 2.347(2) .
Si10 C26 1.885(6) .
Si10 C25 1.898(6) .
Si10 Si11 2.351(2) .
Si11 C28 1.880(5) .
Si11 C27 1.895(6) .
Si11 Si12 2.357(2) .
Si12 Si15 2.341(2) .
Si12 Si16 2.343(2) .
Si13 C29 1.863(5) .
Si13 C30 1.867(6) .
Si13 C31 1.883(6) .
Si14 C33 1.870(6) .
Si14 C32 1.873(6) .
Si14 C34 1.877(6) .
Si15 C37 1.863(7) .
Si15 C35 1.872(6) .
Si15 C36 1.880(7) .
Si16 C38 1.829(8) .
Si16 C39 1.864(6) .
Si16 C40 1.866(8) .
P1 C23 1.794(9) .
P1 C19 1.813(6) .
P1 C21 1.822(10) .
C1 N1 1.142(6) .
C19 C20 1.493(9) .
C21 C22 1.444(14) .
C23 C24 1.234(12) .
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
Sn2 Au2 P2 C41 163.0(8) .
Sn2 Au2 P2 C45 -73.8(9) .
Sn2 Au2 P2 C43 41.0(9) .
C45 P2 C41 C42 178.5(6) .
C43 P2 C41 C42 69.3(7) .
Au2 P2 C41 C42 -55.1(7) .
C41 P2 C43 C44 51.3(7) .
C45 P2 C43 C44 -61.7(7) .
Au2 P2 C43 C44 176.7(6) .
C41 P2 C45 C46 76.3(7) .
C43 P2 C45 C46 -170.7(7) .
Au2 P2 C45 C46 -50.2(7) .
P1 Au1 Sn1 C1 -157.8(5) .
P1 Au1 Sn1 Si4 -42.8(5) .
P1 Au1 Sn1 Si1 83.7(5) .
N2 C2 Sn2 Au3 15(9) .
N2 C2 Sn2 Au2 11(9) .
N2 C2 Sn2 Si9 134(9) .
N2 C2 Sn2 Si12 -118(9) .
P3 Au3 Sn2 C2 13(6) 3
P3 Au3 Sn2 Au2 -171(6) 3
P3 Au3 Sn2 Si9 -64(6) 3
P3 Au3 Sn2 Si12 76(6) 3
P2 Au2 Sn2 C2 154.0(8) .
P2 Au2 Sn2 Au3 150.6(8) .
P2 Au2 Sn2 Si9 38.7(8) .
P2 Au2 Sn2 Si12 -91.0(8) .
C1 Sn1 Si1 Si6 -141.26(15) .
Au1 Sn1 Si1 Si6 -19.99(7) .
Si4 Sn1 Si1 Si6 111.87(7) .
C1 Sn1 Si1 Si2 102.80(15) .
Au1 Sn1 Si1 Si2 -135.93(5) .
Si4 Sn1 Si1 Si2 -4.08(7) .
C1 Sn1 Si1 Si5 -25.06(16) .
Au1 Sn1 Si1 Si5 96.21(8) .
Si4 Sn1 Si1 Si5 -131.94(8) .
Si6 Si1 Si2 C4 146.9(2) .
Si5 Si1 Si2 C4 18.2(3) .
Sn1 Si1 Si2 C4 -103.1(2) .
Si6 Si1 Si2 C3 26.1(2) .
Si5 Si1 Si2 C3 -102.6(2) .
Sn1 Si1 Si2 C3 136.1(2) .
Si6 Si1 Si2 Si3 -91.81(10) .
Si5 Si1 Si2 Si3 139.50(9) .
Sn1 Si1 Si2 Si3 18.19(9) .
C4 Si2 Si3 C6 -143.2(3) .
C3 Si2 Si3 C6 -26.8(3) .
Si1 Si2 Si3 C6 93.5(2) .
C4 Si2 Si3 C5 -27.9(3) .
C3 Si2 Si3 C5 88.5(3) .
Si1 Si2 Si3 C5 -151.2(2) .
C4 Si2 Si3 Si4 96.1(2) .
C3 Si2 Si3 Si4 -147.6(2) .
Si1 Si2 Si3 Si4 -27.26(11) .
C6 Si3 Si4 Si7 146.3(2) .
C5 Si3 Si4 Si7 27.4(3) .
Si2 Si3 Si4 Si7 -94.90(10) .
C6 Si3 Si4 Si8 19.3(3) .
C5 Si3 Si4 Si8 -99.6(3) .
Si2 Si3 Si4 Si8 138.12(9) .
C6 Si3 Si4 Sn1 -96.0(2) .
C5 Si3 Si4 Sn1 145.0(2) .
Si2 Si3 Si4 Sn1 22.77(9) .
C1 Sn1 Si4 Si7 1.06(16) .
Au1 Sn1 Si4 Si7 -117.79(6) .
Si1 Sn1 Si4 Si7 109.15(7) .
C1 Sn1 Si4 Si8 121.73(16) .
Au1 Sn1 Si4 Si8 2.88(7) .
Si1 Sn1 Si4 Si8 -130.18(7) .
C1 Sn1 Si4 Si3 -119.08(16) .
Au1 Sn1 Si4 Si3 122.07(6) .
Si1 Sn1 Si4 Si3 -10.99(7) .
Si6 Si1 Si5 C7 -162.2(4) .
Si2 Si1 Si5 C7 -32.9(4) .
Sn1 Si1 Si5 C7 86.3(4) .
Si6 Si1 Si5 C8 77.8(2) .
Si2 Si1 Si5 C8 -152.9(2) .
Sn1 Si1 Si5 C8 -33.8(2) .
Si6 Si1 Si5 C9 -40.6(5) .
Si2 Si1 Si5 C9 88.7(5) .
Sn1 Si1 Si5 C9 -152.2(5) .
Si2 Si1 Si6 C11 172.8(2) .
Si5 Si1 Si6 C11 -53.8(3) .
Sn1 Si1 Si6 C11 61.6(2) .
Si2 Si1 Si6 C12 54.1(2) .
Si5 Si1 Si6 C12 -172.5(2) .
Sn1 Si1 Si6 C12 -57.1(2) .
Si2 Si1 Si6 C10 -66.4(3) .
Si5 Si1 Si6 C10 67.0(3) .
Sn1 Si1 Si6 C10 -177.6(3) .
Si8 Si4 Si7 C13 58.6(3) .
Si3 Si4 Si7 C13 -68.8(3) .
Sn1 Si4 Si7 C13 176.3(3) .
Si8 Si4 Si7 C14 -60.4(2) .
Si3 Si4 Si7 C14 172.2(2) .
Sn1 Si4 Si7 C14 57.3(2) .
Si8 Si4 Si7 C15 179.0(2) .
Si3 Si4 Si7 C15 51.5(3) .
Sn1 Si4 Si7 C15 -63.3(2) .
Si7 Si4 Si8 C17 46.7(2) .
Si3 Si4 Si8 C17 174.1(2) .
Sn1 Si4 Si8 C17 -72.2(2) .
Si7 Si4 Si8 C16 165.3(2) .
Si3 Si4 Si8 C16 -67.3(2) .
Sn1 Si4 Si8 C16 46.4(2) .
Si7 Si4 Si8 C18 -73.6(3) .
Si3 Si4 Si8 C18 53.8(3) .
Sn1 Si4 Si8 C18 167.5(2) .
C2 Sn2 Si9 Si13 -1.93(16) .
Au3 Sn2 Si9 Si13 40.63(10) .
Au2 Sn2 Si9 Si13 114.36(6) .
Si12 Sn2 Si9 Si13 -107.37(7) .
C2 Sn2 Si9 Si14 -121.69(16) .
Au3 Sn2 Si9 Si14 -79.13(10) .
Au2 Sn2 Si9 Si14 -5.40(8) .
Si12 Sn2 Si9 Si14 132.87(7) .
C2 Sn2 Si9 Si10 120.71(16) .
Au3 Sn2 Si9 Si10 163.27(9) .
Au2 Sn2 Si9 Si10 -123.00(6) .
Si12 Sn2 Si9 Si10 15.27(7) .
Si13 Si9 Si10 C26 -153.6(3) .
Si14 Si9 Si10 C26 -26.8(3) .
Sn2 Si9 Si10 C26 89.3(3) .
Si13 Si9 Si10 C25 -33.4(3) .
Si14 Si9 Si10 C25 93.5(2) .
Sn2 Si9 Si10 C25 -150.5(2) .
Si13 Si9 Si10 Si11 88.32(10) .
Si14 Si9 Si10 Si11 -144.85(8) .
Sn2 Si9 Si10 Si11 -28.79(9) .
C26 Si10 Si11 C28 151.5(3) .
C25 Si10 Si11 C28 33.0(3) .
Si9 Si10 Si11 C28 -89.1(2) .
C26 Si10 Si11 C27 35.5(3) .
C25 Si10 Si11 C27 -83.0(3) .
Si9 Si10 Si11 C27 155.0(2) .
C26 Si10 Si11 Si12 -87.0(3) .
C25 Si10 Si11 Si12 154.5(3) .
Si9 Si10 Si11 Si12 32.50(10) .
C28 Si11 Si12 Si15 -19.9(2) .
C27 Si11 Si12 Si15 99.0(2) .
Si10 Si11 Si12 Si15 -139.49(9) .
C28 Si11 Si12 Si16 -148.1(2) .
C27 Si11 Si12 Si16 -29.2(2) .
Si10 Si11 Si12 Si16 92.26(10) .
C28 Si11 Si12 Sn2 99.0(2) .
C27 Si11 Si12 Sn2 -142.1(2) .
Si10 Si11 Si12 Sn2 -20.58(9) .
C2 Sn2 Si12 Si15 16.19(17) .
Au3 Sn2 Si12 Si15 -21.12(11) .
Au2 Sn2 Si12 Si15 -101.13(7) .
Si9 Sn2 Si12 Si15 123.95(7) .
C2 Sn2 Si12 Si16 136.35(17) .
Au3 Sn2 Si12 Si16 99.04(10) .
Au2 Sn2 Si12 Si16 19.03(8) .
Si9 Sn2 Si12 Si16 -115.89(7) .
C2 Sn2 Si12 Si11 -104.83(17) .
Au3 Sn2 Si12 Si11 -142.14(9) .
Au2 Sn2 Si12 Si11 137.85(5) .
Si9 Sn2 Si12 Si11 2.93(7) .
Si14 Si9 Si13 C29 -177.5(2) .
Si10 Si9 Si13 C29 -51.0(2) .
Sn2 Si9 Si13 C29 64.5(2) .
Si14 Si9 Si13 C30 -57.8(3) .
Si10 Si9 Si13 C30 68.8(3) .
Sn2 Si9 Si13 C30 -175.8(3) .
Si14 Si9 Si13 C31 61.7(2) .
Si10 Si9 Si13 C31 -171.7(2) .
Sn2 Si9 Si13 C31 -56.3(2) .
Si13 Si9 Si14 C33 -163.9(2) .
Si10 Si9 Si14 C33 66.9(3) .
Sn2 Si9 Si14 C33 -46.6(3) .
Si13 Si9 Si14 C32 76.5(2) .
Si10 Si9 Si14 C32 -52.7(2) .
Sn2 Si9 Si14 C32 -166.2(2) .
Si13 Si9 Si14 C34 -44.0(3) .
Si10 Si9 Si14 C34 -173.2(3) .
Sn2 Si9 Si14 C34 73.3(3) .
Si16 Si12 Si15 C37 -178.3(3) .
Si11 Si12 Si15 C37 53.2(3) .
Sn2 Si12 Si15 C37 -63.2(3) .
Si16 Si12 Si15 C35 -55.6(3) .
Si11 Si12 Si15 C35 175.8(3) .
Sn2 Si12 Si15 C35 59.5(3) .
Si16 Si12 Si15 C36 64.1(3) .
Si11 Si12 Si15 C36 -64.5(3) .
Sn2 Si12 Si15 C36 179.2(3) .
Si15 Si12 Si16 C38 -56.7(5) .
Si11 Si12 Si16 C38 71.7(5) .
Sn2 Si12 Si16 C38 -175.0(5) .
Si15 Si12 Si16 C39 65.3(2) .
Si11 Si12 Si16 C39 -166.3(2) .
Sn2 Si12 Si16 C39 -52.9(2) .
Si15 Si12 Si16 C40 -177.3(4) .
Si11 Si12 Si16 C40 -48.9(4) .
Sn2 Si12 Si16 C40 64.4(4) .
Sn1 Au1 P1 C23 -141.3(8) .
Sn1 Au1 P1 C19 100.2(5) .
Sn1 Au1 P1 C21 -17.3(7) .
Au1 Sn1 C1 N1 7(16) .
Si4 Sn1 C1 N1 -116(16) .
Si1 Sn1 C1 N1 135(16) .
C23 P1 C19 C20 -180.0(7) .
C21 P1 C19 C20 68.5(7) .
Au1 P1 C19 C20 -54.8(5) .
C23 P1 C21 C22 85.2(12) .
C19 P1 C21 C22 -167.1(11) .
Au1 P1 C21 C22 -42.8(13) .
C19 P1 C23 C24 131.2(19) .
C21 P1 C23 C24 -121(2) .
Au1 P1 C23 C24 6(2) .
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 0.237 0.125 0.493 12 2 ' '
2 0.237 0.375 0.993 12 2 ' '
3 0.763 0.625 0.007 12 2 ' '
4 0.763 0.875 0.507 12 2 ' '
