#------------------------------------------------------------------------------
#$Date: 2020-03-05 01:03:53 +0100 (jue 05 de mar de 2020) $
#$Revision: 248926 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/34/7703406.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_7703406
loop_
_publ_author_name
'Guschlbauer, Jannick'
'Vollgraff, Tobias'
'Sundermeyer, Jörg'
_publ_section_title
;
 Homoleptic trimethylsilylchalcogenolato zincates
 [Zn(ESiMe₃)₃]⁻ and stannanides
 [Sn(ESiMe₃)₃]⁻ (E = S, Se): precursors
 in solution-based low-temperature binary metal chalcogenide and
 Cu₂ZnSnS₄ (CZTS) synthesis.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2517
_journal_page_last               2526
_journal_paper_doi               10.1039/c9dt04144c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C18 H54 Se6 Si6 Zn2, 2(C24 H20 P)'
_chemical_formula_sum            'C66 H94 P2 Se6 Si6 Zn2'
_chemical_formula_weight         1722.39
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_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
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2019-07-15 deposited with the CCDC.	2020-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                104.645(14)
_cell_angle_beta                 108.529(13)
_cell_angle_gamma                105.841(14)
_cell_formula_units_Z            1
_cell_length_a                   12.360(6)
_cell_length_b                   12.641(6)
_cell_length_c                   14.290(7)
_cell_measurement_reflns_used    9298
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.6700
_cell_measurement_theta_min      2.5375
_cell_volume                     1890.2(16)
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_data_collection       'Bruker Instrument Service v3.0.26'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_molecular_graphics
'DIAMOND 4 (H. Putz, K. Brandenburg, Crystal Impact GbR, Kreuzherrenstr. 102, 53227 Bonn, Germany)'
_computing_publication_material
'WinGX 2014.1 (L.J. Farrugia, J. Appl. Cryst. 2012, 45, 849-854)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.4167
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'D8 Quest (Bruker AXS Inc.)'
_diffrn_measurement_method       'rotation method'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0633
_diffrn_reflns_av_unetI/netI     0.0350
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            53377
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.748
_diffrn_reflns_theta_min         2.540
_diffrn_source                   'I\mS Microfocus Source'
_exptl_absorpt_coefficient_mu    3.697
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_correction_T_min  0.6145
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             868
_exptl_crystal_size_max          0.242
_exptl_crystal_size_mid          0.230
_exptl_crystal_size_min          0.205
_refine_diff_density_max         0.643
_refine_diff_density_min         -0.498
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     407
_refine_ls_number_reflns         7214
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0285
_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)+(0.0222P)²+2.0610P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0547
_refine_ls_wR_factor_ref         0.0585
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5943
_reflns_number_total             7214
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt04144c2.cif
_cod_data_source_block           1b
_cod_depositor_comments
'Adding full bibliography for 7703404--7703406.cif.'
_cod_original_cell_volume        1890.2(17)
_cod_database_code               7703406
_shelx_shelxl_version_number     2017/1
_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   0.468
_shelx_estimated_absorpt_t_max   0.518
_exptl_absorpt_special_details
'SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., J. Appl. Cryst. 48 (2015) 3-10.'
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
Zn1 Zn 0.96693(3) 0.40606(3) 0.86749(3) 0.01523(9) Uani 1 1 d . . . . .
P1 P 0.52607(6) 0.23740(6) 0.30359(5) 0.01080(15) Uani 1 1 d . . . . .
Si2 Si 0.66653(7) 0.37447(7) 0.93875(6) 0.01488(17) Uani 1 1 d . . . . .
Si1 Si 0.95193(7) 0.62112(7) 0.72496(6) 0.01352(17) Uani 1 1 d . . . . .
Si3 Si 0.98905(7) 0.13698(7) 0.71175(6) 0.01569(17) Uani 1 1 d . . . . .
C10 C 0.5135(2) 0.2060(2) 0.4164(2) 0.0130(6) Uani 1 1 d . . . . .
C24 C 0.1892(3) 0.0319(2) 0.0641(2) 0.0162(6) Uani 1 1 d . . . . .
H24 H 0.136059 -0.049500 0.033401 0.019 Uiso 1 1 calc R U . . .
C3 C 0.7833(3) 0.5892(3) 0.6776(2) 0.0211(7) Uani 1 1 d . . . . .
H3A H 0.740006 0.532604 0.603889 0.032 Uiso 1 1 calc R U . . .
H3AB H 0.770000 0.662879 0.681495 0.032 Uiso 1 1 calc R U . . .
H3AC H 0.751338 0.555464 0.722627 0.032 Uiso 1 1 calc R U . . .
C22 C 0.3790(2) 0.1909(2) 0.1953(2) 0.0108(6) Uani 1 1 d . . . . .
C2 C 1.0315(3) 0.7395(3) 0.8597(2) 0.0222(7) Uani 1 1 d . . . . .
H2A H 1.121067 0.761186 0.884904 0.033 Uiso 1 1 calc R U . . .
H2AB H 1.003276 0.710629 0.908726 0.033 Uiso 1 1 calc R U . . .
H2AC H 1.012303 0.809131 0.856682 0.033 Uiso 1 1 calc R U . . .
C23 C 0.3015(3) 0.0708(2) 0.1492(2) 0.0135(6) Uani 1 1 d . . . . .
H23 H 0.326247 0.015965 0.176462 0.016 Uiso 1 1 calc R U . . .
C16 C 0.6061(2) 0.1535(2) 0.2542(2) 0.0125(6) Uani 1 1 d . . . . .
C25 C 0.1533(3) 0.1121(3) 0.0228(2) 0.0166(6) Uani 1 1 d . . . . .
H25 H 0.075787 0.085202 -0.035760 0.020 Uiso 1 1 calc R U . . .
C28 C 0.6048(2) 0.3941(2) 0.3470(2) 0.0117(6) Uani 1 1 d . . . . .
C33 C 0.7141(3) 0.4462(2) 0.3393(2) 0.0161(6) Uani 1 1 d . . . . .
H33 H 0.752156 0.398286 0.311145 0.019 Uiso 1 1 calc R U . . .
C6 C 0.6531(3) 0.2177(3) 0.9027(2) 0.0210(7) Uani 1 1 d . . . . .
H6A H 0.572170 0.167274 0.894416 0.032 Uiso 1 1 calc R U . . .
H6AB H 0.718481 0.211505 0.958992 0.032 Uiso 1 1 calc R U . . .
H6AC H 0.661631 0.191978 0.835612 0.032 Uiso 1 1 calc R U . . .
C26 C 0.2302(3) 0.2303(3) 0.0671(2) 0.0184(6) Uani 1 1 d . . . . .
H26 H 0.205758 0.284306 0.038318 0.022 Uiso 1 1 calc R U . . .
C29 C 0.5487(3) 0.4654(2) 0.3884(2) 0.0145(6) Uani 1 1 d . . . . .
H29 H 0.474230 0.430199 0.394638 0.017 Uiso 1 1 calc R U . . .
C11 C 0.6207(3) 0.2575(2) 0.5117(2) 0.0173(6) Uani 1 1 d . . . . .
H11 H 0.694623 0.311421 0.516370 0.021 Uiso 1 1 calc R U . . .
C32 C 0.7677(3) 0.5684(3) 0.3727(2) 0.0181(6) Uani 1 1 d . . . . .
H32 H 0.843372 0.604450 0.368538 0.022 Uiso 1 1 calc R U . . .
C30 C 0.6022(3) 0.5868(2) 0.4198(2) 0.0155(6) Uani 1 1 d . . . . .
H30 H 0.563915 0.635289 0.446789 0.019 Uiso 1 1 calc R U . . .
C12 C 0.6185(3) 0.2295(3) 0.5988(2) 0.0220(7) Uani 1 1 d . . . . .
H12 H 0.691192 0.263474 0.663181 0.026 Uiso 1 1 calc R U . . .
C27 C 0.3430(3) 0.2708(2) 0.1534(2) 0.0148(6) Uani 1 1 d . . . . .
H27 H 0.395481 0.352442 0.183884 0.018 Uiso 1 1 calc R U . . .
C15 C 0.4052(3) 0.1286(3) 0.4100(2) 0.0203(7) Uani 1 1 d . . . . .
H15 H 0.332318 0.093794 0.345668 0.024 Uiso 1 1 calc R U . . .
C21 C 0.6034(3) 0.1414(2) 0.1538(2) 0.0171(6) Uani 1 1 d . . . . .
H21 H 0.566054 0.182565 0.115243 0.021 Uiso 1 1 calc R U . . .
C17 C 0.6621(3) 0.0941(3) 0.3107(2) 0.0181(6) Uani 1 1 d . . . . .
H17 H 0.664966 0.102998 0.379617 0.022 Uiso 1 1 calc R U . . .
C4 C 0.5374(3) 0.3831(3) 0.8329(3) 0.0278(7) Uani 1 1 d . . . . .
H4A H 0.458671 0.323581 0.819719 0.042 Uiso 1 1 calc R U . . .
H4AB H 0.550170 0.368047 0.767281 0.042 Uiso 1 1 calc R U . . .
H4AC H 0.535536 0.462238 0.856115 0.042 Uiso 1 1 calc R U . . .
C13 C 0.5105(3) 0.1521(3) 0.5918(2) 0.0262(7) Uani 1 1 d . . . . .
H13 H 0.509017 0.132751 0.651555 0.031 Uiso 1 1 calc R U . . .
C31 C 0.7111(3) 0.6377(2) 0.4120(2) 0.0184(6) Uani 1 1 d . . . . .
H31 H 0.747753 0.721404 0.433898 0.022 Uiso 1 1 calc R U . . .
C1 C 1.0112(3) 0.6772(3) 0.6342(2) 0.0219(7) Uani 1 1 d . . . . .
H1A H 1.101708 0.713278 0.668387 0.033 Uiso 1 1 calc R U . . .
H1AB H 0.978675 0.736488 0.619220 0.033 Uiso 1 1 calc R U . . .
H1AC H 0.984111 0.611073 0.567519 0.033 Uiso 1 1 calc R U . . .
C19 C 0.7099(3) 0.0095(3) 0.1665(2) 0.0223(7) Uani 1 1 d . . . . .
H19 H 0.744964 -0.040328 0.136142 0.027 Uiso 1 1 calc R U . . .
C20 C 0.6555(3) 0.0692(3) 0.1104(2) 0.0191(6) Uani 1 1 d . . . . .
H20 H 0.653732 0.060809 0.041936 0.023 Uiso 1 1 calc R U . . .
C5 C 0.6524(3) 0.4229(3) 1.0669(3) 0.0286(8) Uani 1 1 d . . . . .
H5A H 0.574170 0.369238 1.060756 0.043 Uiso 1 1 calc R U . . .
H5AB H 0.654230 0.503629 1.084206 0.043 Uiso 1 1 calc R U . . .
H5AC H 0.721451 0.421238 1.123444 0.043 Uiso 1 1 calc R U . . .
C9 C 0.9249(3) 0.1430(3) 0.5760(2) 0.0272(7) Uani 1 1 d . . . . .
H9A H 0.964188 0.109281 0.533268 0.041 Uiso 1 1 calc R U . . .
H9AB H 0.941714 0.225606 0.582724 0.041 Uiso 1 1 calc R U . . .
H9AC H 0.835464 0.097372 0.541284 0.041 Uiso 1 1 calc R U . . .
C8 C 1.1583(3) 0.2300(3) 0.7761(3) 0.0235(7) Uani 1 1 d . . . . .
H8A H 1.196422 0.205493 0.728381 0.035 Uiso 1 1 calc R U . . .
H8AB H 1.196527 0.219940 0.842950 0.035 Uiso 1 1 calc R U . . .
H8AC H 1.170639 0.313503 0.790659 0.035 Uiso 1 1 calc R U . . .
C18 C 0.7138(3) 0.0218(3) 0.2666(2) 0.0234(7) Uani 1 1 d . . . . .
H18 H 0.751715 -0.019195 0.305016 0.028 Uiso 1 1 calc R U . . .
C14 C 0.4042(3) 0.1023(3) 0.4983(3) 0.0289(8) Uani 1 1 d . . . . .
H14 H 0.330029 0.049881 0.494568 0.035 Uiso 1 1 calc R U . . .
C7 C 0.9658(3) -0.0215(3) 0.6908(3) 0.0243(7) Uani 1 1 d . . . . .
H7A H 1.006991 -0.048005 0.646663 0.036 Uiso 1 1 calc R U . . .
H7AB H 0.877188 -0.070793 0.655163 0.036 Uiso 1 1 calc R U . . .
H7AC H 1.001159 -0.028424 0.759785 0.036 Uiso 1 1 calc R U . . .
Se1 Se 0.98833(5) 0.45592(4) 0.72023(4) 0.01957(14) Uani 0.9816(17) 1 d . . P A
1
Se2 Se 0.84652(4) 0.49915(3) 0.95078(4) 0.01345(11) Uani 0.9816(17) 1 d . . P A
1
Se3 Se 0.89474(5) 0.19071(3) 0.81529(4) 0.01589(11) Uani 0.9816(17) 1 d . . P A
1
Se4 Se 1.048(2) 0.500(2) 0.772(2) 0.027(6) Uani 0.0184(17) 1 d . U P A 2
Se5 Se 0.816(3) 0.484(3) 0.903(3) 0.045(9) Uani 0.0184(17) 1 d . U P A 2
Se6 Se 0.841(4) 0.168(3) 0.788(3) 0.045(9) Uani 0.0184(17) 1 d . U P A 2
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
Zn Zn 0.2839 1.4301 '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_3
Se1 Zn1 Se3 108.71(3) .
Se4 Zn1 Se5 109.0(8) .
Se1 Zn1 Se2 115.68(3) .
Se3 Zn1 Se2 114.42(3) .
Se4 Zn1 Se2 100.5(8) 2_767
Se1 Zn1 Se2 119.28(4) 2_767
Se3 Zn1 Se2 108.11(3) 2_767
Se5 Zn1 Se2 103.2(10) 2_767
Se2 Zn1 Se2 89.66(4) 2_767
Se4 Zn1 Se6 121.4(10) .
Se5 Zn1 Se6 103.0(12) .
C28 P1 C22 109.13(12) .
C28 P1 C10 107.38(13) .
C22 P1 C10 113.05(13) .
C28 P1 C16 113.58(13) .
C22 P1 C16 106.03(13) .
C10 P1 C16 107.79(12) .
C5 Si2 C6 109.03(15) .
C5 Si2 C4 108.91(15) .
C6 Si2 C4 108.68(15) .
C5 Si2 Se5 123.3(10) .
C6 Si2 Se5 111.1(8) .
C4 Si2 Se5 94.1(9) .
C5 Si2 Se2 110.03(11) .
C6 Si2 Se2 112.80(10) .
C4 Si2 Se2 107.31(11) .
C2 Si1 C3 107.80(14) .
C2 Si1 C1 108.50(15) .
C3 Si1 C1 109.48(14) .
C2 Si1 Se1 113.29(10) .
C3 Si1 Se1 111.05(10) .
C1 Si1 Se1 106.66(10) .
C2 Si1 Se4 94.7(8) .
C3 Si1 Se4 126.9(7) .
C1 Si1 Se4 107.5(5) .
C8 Si3 C7 109.32(14) .
C8 Si3 C9 107.58(15) .
C7 Si3 C9 106.55(14) .
C8 Si3 Se3 111.46(11) .
C7 Si3 Se3 106.97(10) .
C9 Si3 Se3 114.76(11) .
C8 Si3 Se6 124.3(9) .
C7 Si3 Se6 103.0(8) .
C9 Si3 Se6 104.8(8) .
C15 C10 C11 120.1(3) .
C15 C10 P1 122.3(2) .
C11 C10 P1 117.4(2) .
C23 C24 C25 120.1(3) .
C23 C24 H24 120.0 .
C25 C24 H24 120.0 .
Si1 C3 H3A 109.5 .
Si1 C3 H3AB 109.5 .
H3A C3 H3AB 109.5 .
Si1 C3 H3AC 109.5 .
H3A C3 H3AC 109.5 .
H3AB C3 H3AC 109.5 .
C23 C22 C27 119.7(2) .
C23 C22 P1 118.68(19) .
C27 C22 P1 121.5(2) .
Si1 C2 H2A 109.5 .
Si1 C2 H2AB 109.5 .
H2A C2 H2AB 109.5 .
Si1 C2 H2AC 109.5 .
H2A C2 H2AC 109.5 .
H2AB C2 H2AC 109.5 .
C24 C23 C22 120.0(2) .
C24 C23 H23 120.0 .
C22 C23 H23 120.0 .
C17 C16 C21 119.8(2) .
C17 C16 P1 121.3(2) .
C21 C16 P1 118.7(2) .
C26 C25 C24 120.1(3) .
C26 C25 H25 120.0 .
C24 C25 H25 120.0 .
C33 C28 C29 119.8(2) .
C33 C28 P1 123.4(2) .
C29 C28 P1 116.8(2) .
C28 C33 C32 119.8(2) .
C28 C33 H33 120.1 .
C32 C33 H33 120.1 .
Si2 C6 H6A 109.5 .
Si2 C6 H6AB 109.5 .
H6A C6 H6AB 109.5 .
Si2 C6 H6AC 109.5 .
H6A C6 H6AC 109.5 .
H6AB C6 H6AC 109.5 .
C25 C26 C27 120.5(3) .
C25 C26 H26 119.8 .
C27 C26 H26 119.8 .
C30 C29 C28 119.8(3) .
C30 C29 H29 120.1 .
C28 C29 H29 120.1 .
C12 C11 C10 119.8(3) .
C12 C11 H11 120.1 .
C10 C11 H11 120.1 .
C31 C32 C33 120.0(3) .
C31 C32 H32 120.0 .
C33 C32 H32 120.0 .
C31 C30 C29 120.0(2) .
C31 C30 H30 120.0 .
C29 C30 H30 120.0 .
C13 C12 C11 119.8(3) .
C13 C12 H12 120.1 .
C11 C12 H12 120.1 .
C26 C27 C22 119.6(3) .
C26 C27 H27 120.2 .
C22 C27 H27 120.2 .
C10 C15 C14 119.3(3) .
C10 C15 H15 120.3 .
C14 C15 H15 120.3 .
C20 C21 C16 119.8(2) .
C20 C21 H21 120.1 .
C16 C21 H21 120.1 .
C18 C17 C16 120.0(3) .
C18 C17 H17 120.0 .
C16 C17 H17 120.0 .
Si2 C4 H4A 109.5 .
Si2 C4 H4AB 109.5 .
H4A C4 H4AB 109.5 .
Si2 C4 H4AC 109.5 .
H4A C4 H4AC 109.5 .
H4AB C4 H4AC 109.5 .
C12 C13 C14 120.4(3) .
C12 C13 H13 119.8 .
C14 C13 H13 119.8 .
C30 C31 C32 120.7(3) .
C30 C31 H31 119.7 .
C32 C31 H31 119.7 .
Si1 C1 H1A 109.5 .
Si1 C1 H1AB 109.5 .
H1A C1 H1AB 109.5 .
Si1 C1 H1AC 109.5 .
H1A C1 H1AC 109.5 .
H1AB C1 H1AC 109.5 .
C20 C19 C18 120.4(3) .
C20 C19 H19 119.8 .
C18 C19 H19 119.8 .
C19 C20 C21 120.2(3) .
C19 C20 H20 119.9 .
C21 C20 H20 119.9 .
Si2 C5 H5A 109.5 .
Si2 C5 H5AB 109.5 .
H5A C5 H5AB 109.5 .
Si2 C5 H5AC 109.5 .
H5A C5 H5AC 109.5 .
H5AB C5 H5AC 109.5 .
Si3 C9 H9A 109.5 .
Si3 C9 H9AB 109.5 .
H9A C9 H9AB 109.5 .
Si3 C9 H9AC 109.5 .
H9A C9 H9AC 109.5 .
H9AB C9 H9AC 109.5 .
Si3 C8 H8A 109.5 .
Si3 C8 H8AB 109.5 .
H8A C8 H8AB 109.5 .
Si3 C8 H8AC 109.5 .
H8A C8 H8AC 109.5 .
H8AB C8 H8AC 109.5 .
C19 C18 C17 119.8(3) .
C19 C18 H18 120.1 .
C17 C18 H18 120.1 .
C13 C14 C15 120.5(3) .
C13 C14 H14 119.8 .
C15 C14 H14 119.8 .
Si3 C7 H7A 109.5 .
Si3 C7 H7AB 109.5 .
H7A C7 H7AB 109.5 .
Si3 C7 H7AC 109.5 .
H7A C7 H7AC 109.5 .
H7AB C7 H7AC 109.5 .
Si1 Se1 Zn1 109.14(3) .
Si2 Se2 Zn1 117.03(4) .
Si2 Se2 Zn1 117.47(4) 2_767
Zn1 Se2 Zn1 90.33(4) 2_767
Si3 Se3 Zn1 103.96(3) .
Si1 Se4 Zn1 111.5(8) .
Si2 Se5 Zn1 120.0(12) .
Si3 Se6 Zn1 90.8(13) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Zn1 Se4 2.31(2) .
Zn1 Se1 2.4143(11) .
Zn1 Se3 2.4469(14) .
Zn1 Se5 2.46(3) .
Zn1 Se2 2.5278(9) .
Zn1 Se2 2.5708(13) 2_767
Zn1 Se6 2.71(4) .
P1 C28 1.788(3) .
P1 C22 1.793(3) .
P1 C10 1.798(3) .
P1 C16 1.800(3) .
Si2 C5 1.859(3) .
Si2 C6 1.862(3) .
Si2 C4 1.869(3) .
Si2 Se5 2.26(3) .
Si2 Se2 2.2735(13) .
Si1 C2 1.858(3) .
Si1 C3 1.863(3) .
Si1 C1 1.872(3) .
Si1 Se1 2.2424(13) .
Si1 Se4 2.278(19) .
Si3 C8 1.869(3) .
Si3 C7 1.874(3) .
Si3 C9 1.878(3) .
Si3 Se3 2.2427(11) .
Si3 Se6 2.47(3) .
C10 C15 1.385(4) .
C10 C11 1.402(4) .
C24 C23 1.378(4) .
C24 C25 1.398(4) .
C24 H24 0.9500 .
C3 H3A 0.9800 .
C3 H3AB 0.9800 .
C3 H3AC 0.9800 .
C22 C23 1.398(4) .
C22 C27 1.400(4) .
C2 H2A 0.9800 .
C2 H2AB 0.9800 .
C2 H2AC 0.9800 .
C23 H23 0.9500 .
C16 C17 1.389(4) .
C16 C21 1.392(4) .
C25 C26 1.378(4) .
C25 H25 0.9500 .
C28 C33 1.385(4) .
C28 C29 1.405(4) .
C33 C32 1.386(4) .
C33 H33 0.9500 .
C6 H6A 0.9800 .
C6 H6AB 0.9800 .
C6 H6AC 0.9800 .
C26 C27 1.387(4) .
C26 H26 0.9500 .
C29 C30 1.379(4) .
C29 H29 0.9500 .
C11 C12 1.383(4) .
C11 H11 0.9500 .
C32 C31 1.381(4) .
C32 H32 0.9500 .
C30 C31 1.378(4) .
C30 H30 0.9500 .
C12 C13 1.380(4) .
C12 H12 0.9500 .
C27 H27 0.9500 .
C15 C14 1.386(4) .
C15 H15 0.9500 .
C21 C20 1.386(4) .
C21 H21 0.9500 .
C17 C18 1.388(4) .
C17 H17 0.9500 .
C4 H4A 0.9800 .
C4 H4AB 0.9800 .
C4 H4AC 0.9800 .
C13 C14 1.384(5) .
C13 H13 0.9500 .
C31 H31 0.9500 .
C1 H1A 0.9800 .
C1 H1AB 0.9800 .
C1 H1AC 0.9800 .
C19 C20 1.380(4) .
C19 C18 1.383(4) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C5 H5A 0.9800 .
C5 H5AB 0.9800 .
C5 H5AC 0.9800 .
C9 H9A 0.9800 .
C9 H9AB 0.9800 .
C9 H9AC 0.9800 .
C8 H8A 0.9800 .
C8 H8AB 0.9800 .
C8 H8AC 0.9800 .
C18 H18 0.9500 .
C14 H14 0.9500 .
C7 H7A 0.9800 .
C7 H7AB 0.9800 .
C7 H7AC 0.9800 .
