#------------------------------------------------------------------------------
#$Date: 2020-07-06 06:10:46 +0300 (Mon, 06 Jul 2020) $
#$Revision: 253905 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/45/7704521.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_7704521
loop_
_publ_author_name
'Sugamata, Koh'
'Urao, Yukiko'
'Minoura, Mao'
_publ_section_title
;
 (Thio)(silyl)carbene and (seleno)(silyl)carbene gold(i) complexes from
 the reaction of bis(methylene)-λ⁴-sulfane and
 bis(methylene)-λ⁴-selane with chloro(dimethylsulfide)gold(i).
;
_journal_issue                   23
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7688
_journal_page_last               7691
_journal_paper_doi               10.1039/d0dt00967a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C43 H45 Au2 Cl S Se Si3'
_chemical_formula_sum            'C43 H45 Au2 Cl S Se Si3'
_chemical_formula_weight         1186.46
_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-2018/1
_audit_update_record
;
2020-02-21 deposited with the CCDC.	2020-05-27 downloaded from the CCDC.
;
_cell_angle_alpha                96.455(2)
_cell_angle_beta                 107.896(2)
_cell_angle_gamma                93.832(2)
_cell_formula_units_Z            2
_cell_length_a                   10.7306(2)
_cell_length_b                   12.7719(3)
_cell_length_c                   16.3141(3)
_cell_measurement_reflns_used    45562
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      21.6960
_cell_measurement_theta_min      1.5850
_cell_volume                     2102.00(8)
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_publication_material  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXL-2018/1 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type
'esperanto-CrysAlisPro-abstract goniometer imported esperanto images'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.4119
_diffrn_reflns_av_R_equivalents  0.0342
_diffrn_reflns_av_unetI/netI     0.0193
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            46420
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        14.308
_diffrn_reflns_theta_max         15.513
_diffrn_reflns_theta_min         1.489
_diffrn_source                   synchrotron
_exptl_absorpt_coefficient_mu    1.943
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.87865
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.875
_exptl_crystal_description       prism
_exptl_crystal_F_000             1140
_exptl_crystal_size_max          0.010
_exptl_crystal_size_mid          0.010
_exptl_crystal_size_min          0.010
_refine_diff_density_max         2.015
_refine_diff_density_min         -1.080
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.053
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     465
_refine_ls_number_reflns         9612
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_all          0.0196
_refine_ls_R_factor_gt           0.0191
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0387P)²+0.7463P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0550
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9224
_reflns_number_total             9612
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00967a3.cif
_cod_data_source_block           CSeCAu
_cod_depositor_comments
'Adding full bibliography for 7704520--7704521.cif.'
_cod_original_cell_volume        2101.99(8)
_cod_database_code               7704521
_shelx_shelxl_version_number     2018/1
_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.
;
_shelx_estimated_absorpt_t_min   0.981
_shelx_estimated_absorpt_t_max   0.981
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
Se1 Se 0.66709(2) 0.32731(2) 0.69325(2) 0.01347(5) Uani 1 1 d . . . . .
C1 C 0.6181(2) 0.38829(16) 0.78055(13) 0.0141(4) Uani 1 1 d . . . . .
C2 C 0.8140(2) 0.24602(16) 0.73830(13) 0.0128(4) Uani 1 1 d . . . . .
Au1 Au 0.69846(2) 0.38830(2) 0.90558(2) 0.01640(3) Uani 1 1 d . . . . .
Au2 Au 0.93143(2) 0.30157(2) 0.86548(2) 0.01333(3) Uani 1 1 d . . . . .
Si1 Si 0.46022(6) 0.45381(4) 0.74239(4) 0.01302(11) Uani 1 1 d . . . . .
C3 C 0.3796(2) 0.40843(17) 0.62327(14) 0.0157(4) Uani 1 1 d . . . . .
C4 C 0.3240(2) 0.30222(18) 0.59619(15) 0.0205(4) Uani 1 1 d . . . . .
H1 H 0.329566 0.255674 0.638396 0.025 Uiso 1 1 calc R U . . .
C5 C 0.2611(2) 0.2643(2) 0.50860(16) 0.0267(5) Uani 1 1 d . . . . .
H2 H 0.223829 0.192575 0.491511 0.032 Uiso 1 1 calc R U . . .
C6 C 0.2528(2) 0.3313(2) 0.44640(16) 0.0274(5) Uani 1 1 d . . . . .
H3 H 0.209355 0.305692 0.386679 0.033 Uiso 1 1 calc R U . . .
C7 C 0.3080(3) 0.4359(2) 0.47146(16) 0.0267(5) Uani 1 1 d . . . . .
H4 H 0.302503 0.481790 0.428820 0.032 Uiso 1 1 calc R U . . .
C8 C 0.3718(2) 0.47375(18) 0.55917(15) 0.0205(4) Uani 1 1 d . . . . .
H5 H 0.410444 0.545184 0.575513 0.025 Uiso 1 1 calc R U . . .
C9 C 0.5079(2) 0.60037(16) 0.76637(13) 0.0155(4) Uani 1 1 d . . . . .
C10 C 0.4437(2) 0.66545(18) 0.81121(14) 0.0205(4) Uani 1 1 d . . . . .
H6 H 0.374768 0.634997 0.829076 0.025 Uiso 1 1 calc R U . . .
C11 C 0.4795(3) 0.77473(19) 0.83007(16) 0.0274(5) Uani 1 1 d . . . . .
H7 H 0.435246 0.818019 0.860856 0.033 Uiso 1 1 calc R U . . .
C12 C 0.5794(3) 0.82020(18) 0.80403(17) 0.0291(5) Uani 1 1 d . . . . .
H8 H 0.603876 0.894523 0.817170 0.035 Uiso 1 1 calc R U . . .
C13 C 0.6432(2) 0.75730(19) 0.75893(16) 0.0262(5) Uani 1 1 d . . . . .
H9 H 0.710872 0.788420 0.740274 0.031 Uiso 1 1 calc R U . . .
C14 C 0.6083(2) 0.64832(18) 0.74086(14) 0.0200(4) Uani 1 1 d . . . . .
H10 H 0.653686 0.605575 0.710535 0.024 Uiso 1 1 calc R U . . .
C15 C 0.3552(2) 0.41068(18) 0.80665(15) 0.0199(4) Uani 1 1 d . . . . .
H11 H 0.394547 0.442812 0.867525 0.030 Uiso 1 1 calc R U . . .
H12 H 0.348403 0.333308 0.803178 0.030 Uiso 1 1 calc R U . . .
H13 H 0.267126 0.433168 0.783184 0.030 Uiso 1 1 calc R U . . .
Cl1 Cl 0.77875(6) 0.39429(6) 1.05372(4) 0.02941(13) Uani 1 1 d . . . . .
S1 S 1.07924(5) 0.35660(4) 1.00367(3) 0.01886(11) Uani 1 1 d . . . . .
Si2 Si 0.73427(6) 0.10806(4) 0.73512(4) 0.01449(11) Uani 1 1 d . . . . .
C16 C 1.0545(3) 0.2521(2) 1.06543(15) 0.0274(5) Uani 1 1 d . . . . .
H14 H 1.069317 0.184289 1.037249 0.041 Uiso 1 1 calc R U . . .
H15 H 0.964204 0.248071 1.067793 0.041 Uiso 1 1 calc R U . . .
H16 H 1.116719 0.267467 1.124630 0.041 Uiso 1 1 calc R U . . .
C17 C 1.2368(2) 0.3292(2) 0.99339(17) 0.0269(5) Uani 1 1 d . . . . .
H17 H 1.302637 0.337502 1.051295 0.040 Uiso 1 1 calc R U . . .
H18 H 1.263259 0.378807 0.958580 0.040 Uiso 1 1 calc R U . . .
H19 H 1.230065 0.256459 0.964696 0.040 Uiso 1 1 calc R U . . .
C18 C 0.6335(2) 0.10945(16) 0.81159(15) 0.0168(4) Uani 1 1 d . . . . .
C19 C 0.4958(2) 0.10017(18) 0.77905(16) 0.0215(4) Uani 1 1 d . . . . .
H20 H 0.454052 0.094600 0.718033 0.026 Uiso 1 1 calc R U . . .
C20 C 0.4186(3) 0.0989(2) 0.83339(18) 0.0270(5) Uani 1 1 d . . . . .
H21 H 0.325348 0.092098 0.809244 0.032 Uiso 1 1 calc R U . . .
C21 C 0.4766(3) 0.1074(2) 0.92234(18) 0.0292(5) Uani 1 1 d . . . . .
H22 H 0.423776 0.106313 0.959554 0.035 Uiso 1 1 calc R U . . .
C22 C 0.6123(3) 0.1176(2) 0.95666(17) 0.0291(5) Uani 1 1 d . . . . .
H23 H 0.653083 0.123549 1.017804 0.035 Uiso 1 1 calc R U . . .
C23 C 0.6895(2) 0.11904(19) 0.90209(16) 0.0233(5) Uani 1 1 d . . . . .
H24 H 0.782719 0.126760 0.926862 0.028 Uiso 1 1 calc R U . . .
C24 C 0.8699(2) 0.01929(18) 0.76499(16) 0.0189(4) Uani 1 1 d . . . . .
C25 C 0.9683(2) 0.03252(18) 0.84659(16) 0.0229(5) Uani 1 1 d . . . . .
H25 H 0.962426 0.084123 0.891599 0.027 Uiso 1 1 calc R U . . .
C26 C 1.0740(3) -0.0282(2) 0.86303(18) 0.0285(5) Uani 1 1 d . . . . .
H26 H 1.138730 -0.018312 0.918915 0.034 Uiso 1 1 calc R U . . .
C27 C 1.0849(3) -0.10305(19) 0.79776(19) 0.0300(5) Uani 1 1 d . . . . .
H27 H 1.157728 -0.143818 0.808492 0.036 Uiso 1 1 calc R U . . .
C28 C 0.9898(3) -0.11794(19) 0.71741(19) 0.0291(5) Uani 1 1 d . . . . .
H28 H 0.996940 -0.169314 0.672680 0.035 Uiso 1 1 calc R U . . .
C29 C 0.8833(2) -0.05846(17) 0.70121(17) 0.0225(5) Uani 1 1 d . . . . .
H29 H 0.817965 -0.070698 0.645565 0.027 Uiso 1 1 calc R U . . .
C30 C 0.6189(2) 0.05327(19) 0.62453(15) 0.0229(4) Uani 1 1 d . . . . .
H30 H 0.574300 -0.015247 0.627058 0.034 Uiso 1 1 calc R U . . .
H31 H 0.668658 0.043750 0.583430 0.034 Uiso 1 1 calc R U . . .
H32 H 0.553219 0.102622 0.605212 0.034 Uiso 1 1 calc R U . . .
Si3 Si 0.92736(6) 0.26059(4) 0.67061(4) 0.01288(11) Uani 1 1 d . . . . .
C31 C 0.9786(2) 0.40480(16) 0.67205(13) 0.0146(4) Uani 1 1 d . . . . .
C32 C 1.0371(2) 0.43109(17) 0.60983(14) 0.0173(4) Uani 1 1 d . . . . .
H33 H 1.040539 0.377260 0.565635 0.021 Uiso 1 1 calc R U . . .
C33 C 1.0898(2) 0.53389(18) 0.61145(16) 0.0202(4) Uani 1 1 d . . . . .
H34 H 1.129922 0.549329 0.569125 0.024 Uiso 1 1 calc R U . . .
C34 C 1.0843(2) 0.61380(17) 0.67439(15) 0.0206(4) Uani 1 1 d . . . . .
H35 H 1.121064 0.683985 0.675742 0.025 Uiso 1 1 calc R U . . .
C35 C 1.0247(2) 0.59087(17) 0.73566(14) 0.0199(4) Uani 1 1 d . . . . .
H36 H 1.019138 0.645685 0.778475 0.024 Uiso 1 1 calc R U . . .
C36 C 0.9730(2) 0.48762(17) 0.73435(14) 0.0173(4) Uani 1 1 d . . . . .
H37 H 0.932836 0.472942 0.776816 0.021 Uiso 1 1 calc R U . . .
C37 C 0.8464(2) 0.20401(16) 0.55250(14) 0.0159(4) Uani 1 1 d . . . . .
C38 C 0.8732(2) 0.10657(18) 0.51631(15) 0.0215(4) Uani 1 1 d . . . . .
H38 H 0.935504 0.067635 0.551948 0.026 Uiso 1 1 calc R U . . .
C39 C 0.8107(3) 0.06566(19) 0.42930(16) 0.0264(5) Uani 1 1 d . . . . .
H39 H 0.829982 -0.000863 0.406531 0.032 Uiso 1 1 calc R U . . .
C40 C 0.7207(2) 0.12125(19) 0.37590(15) 0.0238(5) Uani 1 1 d . . . . .
H40 H 0.679169 0.093637 0.316352 0.029 Uiso 1 1 calc R U . . .
C41 C 0.6912(2) 0.21785(19) 0.40980(15) 0.0227(5) Uani 1 1 d . . . . .
H41 H 0.628319 0.255930 0.373748 0.027 Uiso 1 1 calc R U . . .
C42 C 0.7542(2) 0.25846(17) 0.49657(14) 0.0185(4) Uani 1 1 d . . . . .
H42 H 0.734331 0.325055 0.518766 0.022 Uiso 1 1 calc R U . . .
C43 C 1.0790(2) 0.19336(17) 0.71271(15) 0.0176(4) Uani 1 1 d . . . . .
H43 H 1.137806 0.205410 0.678333 0.026 Uiso 1 1 calc R U . . .
H44 H 1.054584 0.117101 0.708120 0.026 Uiso 1 1 calc R U . . .
H45 H 1.124162 0.222312 0.773772 0.026 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C -0.0001 0.0005 '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'
Au Au -0.4756 3.6081 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.0550 0.0527 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.0441 0.0406 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se 0.2895 0.8599 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0266 0.0227 '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
C1 Se1 C2 109.87(9) . . ?
Se1 C1 Si1 113.18(11) . . ?
Se1 C1 Au1 128.75(11) . . ?
Si1 C1 Au1 117.96(10) . . ?
Si3 C2 Si2 117.35(11) . . ?
Si3 C2 Se1 107.30(10) . . ?
Si2 C2 Se1 104.58(10) . . ?
Si3 C2 Au2 104.74(9) . . ?
Si2 C2 Au2 108.71(9) . . ?
Se1 C2 Au2 114.53(10) . . ?
C1 Au1 Cl1 175.52(6) . . ?
C1 Au1 Au2 87.52(6) . . ?
Cl1 Au1 Au2 96.949(16) . . ?
C2 Au2 S1 174.40(6) . . ?
C2 Au2 Au1 90.43(5) . . ?
S1 Au2 Au1 95.164(14) . . ?
C15 Si1 C9 111.33(10) . . ?
C15 Si1 C3 111.33(10) . . ?
C9 Si1 C3 112.06(9) . . ?
C15 Si1 C1 106.29(10) . . ?
C9 Si1 C1 106.89(9) . . ?
C3 Si1 C1 108.64(9) . . ?
C8 C3 C4 117.7(2) . . ?
C8 C3 Si1 123.75(17) . . ?
C4 C3 Si1 118.53(16) . . ?
C5 C4 C3 121.1(2) . . ?
C5 C4 H1 119.4 . . ?
C3 C4 H1 119.4 . . ?
C6 C5 C4 120.0(2) . . ?
C6 C5 H2 120.0 . . ?
C4 C5 H2 120.0 . . ?
C5 C6 C7 119.9(2) . . ?
C5 C6 H3 120.1 . . ?
C7 C6 H3 120.1 . . ?
C6 C7 C8 120.2(2) . . ?
C6 C7 H4 119.9 . . ?
C8 C7 H4 119.9 . . ?
C7 C8 C3 121.1(2) . . ?
C7 C8 H5 119.5 . . ?
C3 C8 H5 119.5 . . ?
C10 C9 C14 117.8(2) . . ?
C10 C9 Si1 120.44(16) . . ?
C14 C9 Si1 121.73(16) . . ?
C11 C10 C9 120.8(2) . . ?
C11 C10 H6 119.6 . . ?
C9 C10 H6 119.6 . . ?
C12 C11 C10 120.2(2) . . ?
C12 C11 H7 119.9 . . ?
C10 C11 H7 119.9 . . ?
C13 C12 C11 119.9(2) . . ?
C13 C12 H8 120.1 . . ?
C11 C12 H8 120.1 . . ?
C12 C13 C14 119.9(2) . . ?
C12 C13 H9 120.0 . . ?
C14 C13 H9 120.0 . . ?
C13 C14 C9 121.4(2) . . ?
C13 C14 H10 119.3 . . ?
C9 C14 H10 119.3 . . ?
Si1 C15 H11 109.5 . . ?
Si1 C15 H12 109.5 . . ?
H11 C15 H12 109.5 . . ?
Si1 C15 H13 109.5 . . ?
H11 C15 H13 109.5 . . ?
H12 C15 H13 109.5 . . ?
C17 S1 C16 99.31(12) . . ?
C17 S1 Au2 104.21(9) . . ?
C16 S1 Au2 104.01(9) . . ?
C30 Si2 C24 108.39(11) . . ?
C30 Si2 C18 106.39(11) . . ?
C24 Si2 C18 111.61(11) . . ?
C30 Si2 C2 112.27(10) . . ?
C24 Si2 C2 107.53(10) . . ?
C18 Si2 C2 110.67(9) . . ?
S1 C16 H14 109.5 . . ?
S1 C16 H15 109.5 . . ?
H14 C16 H15 109.5 . . ?
S1 C16 H16 109.5 . . ?
H14 C16 H16 109.5 . . ?
H15 C16 H16 109.5 . . ?
S1 C17 H17 109.5 . . ?
S1 C17 H18 109.5 . . ?
H17 C17 H18 109.5 . . ?
S1 C17 H19 109.5 . . ?
H17 C17 H19 109.5 . . ?
H18 C17 H19 109.5 . . ?
C19 C18 C23 116.5(2) . . ?
C19 C18 Si2 120.38(18) . . ?
C23 C18 Si2 123.12(18) . . ?
C20 C19 C18 121.9(2) . . ?
C20 C19 H20 119.1 . . ?
C18 C19 H20 119.1 . . ?
C21 C20 C19 120.3(2) . . ?
C21 C20 H21 119.8 . . ?
C19 C20 H21 119.8 . . ?
C20 C21 C22 119.3(2) . . ?
C20 C21 H22 120.4 . . ?
C22 C21 H22 120.4 . . ?
C21 C22 C23 120.3(2) . . ?
C21 C22 H23 119.9 . . ?
C23 C22 H23 119.9 . . ?
C22 C23 C18 121.7(2) . . ?
C22 C23 H24 119.1 . . ?
C18 C23 H24 119.1 . . ?
C29 C24 C25 116.7(2) . . ?
C29 C24 Si2 119.49(19) . . ?
C25 C24 Si2 123.54(18) . . ?
C26 C25 C24 121.6(2) . . ?
C26 C25 H25 119.2 . . ?
C24 C25 H25 119.2 . . ?
C27 C26 C25 120.0(2) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 119.6(2) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C27 C28 C29 120.5(2) . . ?
C27 C28 H28 119.8 . . ?
C29 C28 H28 119.8 . . ?
C28 C29 C24 121.6(2) . . ?
C28 C29 H29 119.2 . . ?
C24 C29 H29 119.2 . . ?
Si2 C30 H30 109.5 . . ?
Si2 C30 H31 109.5 . . ?
H30 C30 H31 109.5 . . ?
Si2 C30 H32 109.5 . . ?
H30 C30 H32 109.5 . . ?
H31 C30 H32 109.5 . . ?
C43 Si3 C31 108.36(10) . . ?
C43 Si3 C37 107.70(10) . . ?
C31 Si3 C37 106.14(9) . . ?
C43 Si3 C2 111.34(10) . . ?
C31 Si3 C2 110.31(9) . . ?
C37 Si3 C2 112.76(9) . . ?
C36 C31 C32 116.87(19) . . ?
C36 C31 Si3 125.31(15) . . ?
C32 C31 Si3 117.61(16) . . ?
C33 C32 C31 121.6(2) . . ?
C33 C32 H33 119.2 . . ?
C31 C32 H33 119.2 . . ?
C34 C33 C32 120.3(2) . . ?
C34 C33 H34 119.9 . . ?
C32 C33 H34 119.9 . . ?
C33 C34 C35 119.6(2) . . ?
C33 C34 H35 120.2 . . ?
C35 C34 H35 120.2 . . ?
C34 C35 C36 120.0(2) . . ?
C34 C35 H36 120.0 . . ?
C36 C35 H36 120.0 . . ?
C35 C36 C31 121.7(2) . . ?
C35 C36 H37 119.2 . . ?
C31 C36 H37 119.2 . . ?
C38 C37 C42 116.8(2) . . ?
C38 C37 Si3 122.51(16) . . ?
C42 C37 Si3 120.72(16) . . ?
C39 C38 C37 121.5(2) . . ?
C39 C38 H38 119.3 . . ?
C37 C38 H38 119.3 . . ?
C40 C39 C38 120.4(2) . . ?
C40 C39 H39 119.8 . . ?
C38 C39 H39 119.8 . . ?
C39 C40 C41 119.6(2) . . ?
C39 C40 H40 120.2 . . ?
C41 C40 H40 120.2 . . ?
C42 C41 C40 119.8(2) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C41 C42 C37 122.0(2) . . ?
C41 C42 H42 119.0 . . ?
C37 C42 H42 119.0 . . ?
Si3 C43 H43 109.5 . . ?
Si3 C43 H44 109.5 . . ?
H43 C43 H44 109.5 . . ?
Si3 C43 H45 109.5 . . ?
H43 C43 H45 109.5 . . ?
H44 C43 H45 109.5 . . ?
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
Se1 C1 1.782(2) . ?
Se1 C2 1.944(2) . ?
C1 Si1 1.902(2) . ?
C1 Au1 1.955(2) . ?
C2 Si3 1.891(2) . ?
C2 Si2 1.895(2) . ?
C2 Au2 2.083(2) . ?
Au1 Cl1 2.2933(6) . ?
Au1 Au2 3.01939(12) . ?
Au2 S1 2.3216(5) . ?
Si1 C15 1.856(2) . ?
Si1 C9 1.872(2) . ?
Si1 C3 1.873(2) . ?
C3 C8 1.396(3) . ?
C3 C4 1.409(3) . ?
C4 C5 1.393(3) . ?
C4 H1 0.9500 . ?
C5 C6 1.386(4) . ?
C5 H2 0.9500 . ?
C6 C7 1.387(4) . ?
C6 H3 0.9500 . ?
C7 C8 1.396(3) . ?
C7 H4 0.9500 . ?
C8 H5 0.9500 . ?
C9 C10 1.397(3) . ?
C9 C14 1.398(3) . ?
C10 C11 1.396(3) . ?
C10 H6 0.9500 . ?
C11 C12 1.385(4) . ?
C11 H7 0.9500 . ?
C12 C13 1.381(4) . ?
C12 H8 0.9500 . ?
C13 C14 1.391(3) . ?
C13 H9 0.9500 . ?
C14 H10 0.9500 . ?
C15 H11 0.9800 . ?
C15 H12 0.9800 . ?
C15 H13 0.9800 . ?
S1 C17 1.802(3) . ?
S1 C16 1.813(2) . ?
Si2 C30 1.872(2) . ?
Si2 C24 1.884(2) . ?
Si2 C18 1.885(2) . ?
C16 H14 0.9800 . ?
C16 H15 0.9800 . ?
C16 H16 0.9800 . ?
C17 H17 0.9800 . ?
C17 H18 0.9800 . ?
C17 H19 0.9800 . ?
C18 C19 1.400(3) . ?
C18 C23 1.400(3) . ?
C19 C20 1.388(3) . ?
C19 H20 0.9500 . ?
C20 C21 1.380(4) . ?
C20 H21 0.9500 . ?
C21 C22 1.381(4) . ?
C21 H22 0.9500 . ?
C22 C23 1.391(3) . ?
C22 H23 0.9500 . ?
C23 H24 0.9500 . ?
C24 C29 1.403(3) . ?
C24 C25 1.406(4) . ?
C25 C26 1.392(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.387(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.376(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.388(3) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 H30 0.9800 . ?
C30 H31 0.9800 . ?
C30 H32 0.9800 . ?
Si3 C43 1.868(2) . ?
Si3 C31 1.882(2) . ?
Si3 C37 1.888(2) . ?
C31 C36 1.400(3) . ?
C31 C32 1.406(3) . ?
C32 C33 1.389(3) . ?
C32 H33 0.9500 . ?
C33 C34 1.382(3) . ?
C33 H34 0.9500 . ?
C34 C35 1.389(3) . ?
C34 H35 0.9500 . ?
C35 C36 1.391(3) . ?
C35 H36 0.9500 . ?
C36 H37 0.9500 . ?
C37 C38 1.403(3) . ?
C37 C42 1.405(3) . ?
C38 C39 1.393(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.382(4) . ?
C39 H39 0.9500 . ?
C40 C41 1.391(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.389(3) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 H43 0.9800 . ?
C43 H44 0.9800 . ?
C43 H45 0.9800 . ?
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
C2 Se1 C1 Si1 -171.94(10) . . . . ?
C2 Se1 C1 Au1 4.08(16) . . . . ?
C15 Si1 C3 C8 133.29(19) . . . . ?
C9 Si1 C3 C8 7.9(2) . . . . ?
C1 Si1 C3 C8 -110.00(19) . . . . ?
C15 Si1 C3 C4 -47.1(2) . . . . ?
C9 Si1 C3 C4 -172.48(16) . . . . ?
C1 Si1 C3 C4 69.64(19) . . . . ?
C8 C3 C4 C5 -1.3(3) . . . . ?
Si1 C3 C4 C5 179.06(18) . . . . ?
C3 C4 C5 C6 0.3(4) . . . . ?
C4 C5 C6 C7 0.4(4) . . . . ?
C5 C6 C7 C8 -0.1(4) . . . . ?
C6 C7 C8 C3 -1.0(4) . . . . ?
C4 C3 C8 C7 1.6(3) . . . . ?
Si1 C3 C8 C7 -178.72(18) . . . . ?
C15 Si1 C9 C10 -13.6(2) . . . . ?
C3 Si1 C9 C10 111.78(18) . . . . ?
C1 Si1 C9 C10 -129.31(17) . . . . ?
C15 Si1 C9 C14 166.05(18) . . . . ?
C3 Si1 C9 C14 -68.5(2) . . . . ?
C1 Si1 C9 C14 50.4(2) . . . . ?
C14 C9 C10 C11 -0.3(3) . . . . ?
Si1 C9 C10 C11 179.40(17) . . . . ?
C9 C10 C11 C12 0.3(4) . . . . ?
C10 C11 C12 C13 0.3(4) . . . . ?
C11 C12 C13 C14 -0.9(4) . . . . ?
C12 C13 C14 C9 0.9(4) . . . . ?
C10 C9 C14 C13 -0.3(3) . . . . ?
Si1 C9 C14 C13 180.00(18) . . . . ?
Si3 C2 Si2 C30 -64.58(14) . . . . ?
Se1 C2 Si2 C30 54.14(13) . . . . ?
Au2 C2 Si2 C30 176.89(10) . . . . ?
Si3 C2 Si2 C24 54.56(14) . . . . ?
Se1 C2 Si2 C24 173.28(10) . . . . ?
Au2 C2 Si2 C24 -63.97(12) . . . . ?
Si3 C2 Si2 C18 176.70(11) . . . . ?
Se1 C2 Si2 C18 -64.58(12) . . . . ?
Au2 C2 Si2 C18 58.17(12) . . . . ?
C30 Si2 C18 C19 -16.6(2) . . . . ?
C24 Si2 C18 C19 -134.65(17) . . . . ?
C2 Si2 C18 C19 105.63(18) . . . . ?
C30 Si2 C18 C23 163.11(19) . . . . ?
C24 Si2 C18 C23 45.0(2) . . . . ?
C2 Si2 C18 C23 -74.7(2) . . . . ?
C23 C18 C19 C20 -1.0(3) . . . . ?
Si2 C18 C19 C20 178.76(18) . . . . ?
C18 C19 C20 C21 0.3(4) . . . . ?
C19 C20 C21 C22 0.2(4) . . . . ?
C20 C21 C22 C23 -0.1(4) . . . . ?
C21 C22 C23 C18 -0.6(4) . . . . ?
C19 C18 C23 C22 1.1(3) . . . . ?
Si2 C18 C23 C22 -178.62(19) . . . . ?
C30 Si2 C24 C29 11.3(2) . . . . ?
C18 Si2 C24 C29 128.20(17) . . . . ?
C2 Si2 C24 C29 -110.25(18) . . . . ?
C30 Si2 C24 C25 -174.99(19) . . . . ?
C18 Si2 C24 C25 -58.1(2) . . . . ?
C2 Si2 C24 C25 63.4(2) . . . . ?
C29 C24 C25 C26 0.3(3) . . . . ?
Si2 C24 C25 C26 -173.48(19) . . . . ?
C24 C25 C26 C27 0.7(4) . . . . ?
C25 C26 C27 C28 -1.0(4) . . . . ?
C26 C27 C28 C29 0.2(4) . . . . ?
C27 C28 C29 C24 1.0(4) . . . . ?
C25 C24 C29 C28 -1.2(3) . . . . ?
Si2 C24 C29 C28 172.91(18) . . . . ?
Si2 C2 Si3 C43 -66.72(14) . . . . ?
Se1 C2 Si3 C43 176.03(10) . . . . ?
Au2 C2 Si3 C43 53.92(12) . . . . ?
Si2 C2 Si3 C31 172.94(10) . . . . ?
Se1 C2 Si3 C31 55.69(12) . . . . ?
Au2 C2 Si3 C31 -66.42(11) . . . . ?
Si2 C2 Si3 C37 54.47(14) . . . . ?
Se1 C2 Si3 C37 -62.79(12) . . . . ?
Au2 C2 Si3 C37 175.11(8) . . . . ?
C43 Si3 C31 C36 -102.25(19) . . . . ?
C37 Si3 C31 C36 142.32(18) . . . . ?
C2 Si3 C31 C36 19.9(2) . . . . ?
C43 Si3 C31 C32 72.36(18) . . . . ?
C37 Si3 C31 C32 -43.08(18) . . . . ?
C2 Si3 C31 C32 -165.53(16) . . . . ?
C36 C31 C32 C33 1.6(3) . . . . ?
Si3 C31 C32 C33 -173.44(17) . . . . ?
C31 C32 C33 C34 -0.9(3) . . . . ?
C32 C33 C34 C35 -0.5(3) . . . . ?
C33 C34 C35 C36 1.1(3) . . . . ?
C34 C35 C36 C31 -0.3(3) . . . . ?
C32 C31 C36 C35 -1.0(3) . . . . ?
Si3 C31 C36 C35 173.63(17) . . . . ?
C43 Si3 C37 C38 19.4(2) . . . . ?
C31 Si3 C37 C38 135.27(18) . . . . ?
C2 Si3 C37 C38 -103.85(19) . . . . ?
C43 Si3 C37 C42 -161.18(16) . . . . ?
C31 Si3 C37 C42 -45.30(19) . . . . ?
C2 Si3 C37 C42 75.58(19) . . . . ?
C42 C37 C38 C39 -0.5(3) . . . . ?
Si3 C37 C38 C39 178.97(18) . . . . ?
C37 C38 C39 C40 0.6(4) . . . . ?
C38 C39 C40 C41 -1.0(4) . . . . ?
C39 C40 C41 C42 1.1(4) . . . . ?
C40 C41 C42 C37 -1.0(3) . . . . ?
C38 C37 C42 C41 0.7(3) . . . . ?
Si3 C37 C42 C41 -178.80(18) . . . . ?
