# Electronic Supplementary Material (ESI) for Organic Chemistry Frontiers.
# This journal is © the Partner Organisations 2020

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a
_database_code_depnum_ccdc_archive 'CCDC 1991716'
loop_
_audit_author_name
_audit_author_address
'Hua Wang'
;Henan University
China
;
_audit_update_record             
;
2020-03-20 deposited with the CCDC.	2020-10-23 downloaded from the CCDC.
;
_audit_creation_date             2020-03-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H20 S7 Si2'
_chemical_formula_sum            'C22 H20 S7 Si2'
_chemical_formula_weight         564.98
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   17.0321(11)
_cell_length_b                   8.1148(5)
_cell_length_c                   19.0432(12)
_cell_angle_alpha                90
_cell_angle_beta                 103.715(2)
_cell_angle_gamma                90
_cell_volume                     2557.0(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9941
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.58
_cell_measurement_theta_min      2.20
_shelx_estimated_absorpt_T_max   0.945
_shelx_estimated_absorpt_T_min   0.918
_exptl_absorpt_coefficient_mu    0.721
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6784
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0988 before and 0.0610 after correction.
The Ratio of minimum to maximum transmission is 0.9099.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    ?
_exptl_crystal_description       prism
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.08
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0494
_diffrn_reflns_av_unetI/netI     0.0422
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            30270
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.777
_diffrn_reflns_theta_min         2.202
_diffrn_ambient_temperature      99.97
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4581
_reflns_number_total             5981
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.440
_refine_diff_density_min         -0.591
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5981
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0734
_refine_ls_R_factor_gt           0.0501
_refine_ls_restrained_S_all      1.080
_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)+(0.0602P)²+3.8427P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1184
_refine_ls_wR_factor_ref         0.1298
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C14-C15
 1.39 with sigma of 0.02
 C15-C16
 1.39 with sigma of 0.02
 C13-C15A
 1.39 with sigma of 0.02
 C15A-C16
 1.39 with sigma of 0.02
 C2-C1
 1.39 with sigma of 0.02
 C2-C3
 1.39 with sigma of 0.02
 C2A-C4
 1.39 with sigma of 0.02
 C2A-C1
 1.39 with sigma of 0.02
 S7-C13
 1.74 with sigma of 0.02
 S7-C16
 1.74 with sigma of 0.02
 S7A-C16
 1.74 with sigma of 0.02
 S7A-C14
 1.74 with sigma of 0.02
 S1-C4
 1.74 with sigma of 0.02
 S1-C1
 1.74 with sigma of 0.02
 C2A-S1A
 2.5 with sigma of 0.02
 C2A-C3
 2.2 with sigma of 0.02
 S1A-C3
 1.74 with sigma of 0.02
 S1A-C1
 1.74 with sigma of 0.02
 S1A-C4
 2.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(S7) = Uanis(S7A)
Uanis(C15) = Uanis(C15A)
Uanis(C2) = Uanis(C2A)
Uanis(S1) = Uanis(S1A)
4. Others
 Sof(S1A)=Sof(S7A)=Sof(C2A)=Sof(H2A)=Sof(C15A)=Sof(H15A)=1-FVAR(1)
 Sof(S1)=Sof(S7)=Sof(C2)=Sof(H2)=Sof(C15)=Sof(H15)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C15(H15), C2A(H2A), C15A(H15A)
5.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
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
S2 S 0.41587(4) 0.29032(9) 0.68510(4) 0.02155(17) Uani 1 1 d . . . . .
S3 S 0.37258(5) 0.79646(9) 0.70288(4) 0.02530(18) Uani 1 1 d . . . . .
S4 S 0.48743(5) 0.91906(9) 0.60687(4) 0.02626(19) Uani 1 1 d . . . . .
S5 S 0.61138(5) 0.76992(9) 0.52554(4) 0.02504(18) Uani 1 1 d . . . . .
S6 S 0.59824(4) 0.28077(9) 0.59386(4) 0.02093(17) Uani 1 1 d . . . . .
Si1 Si 0.14786(5) 0.18815(11) 0.82084(5) 0.0263(2) Uani 1 1 d . . . . .
Si2 Si 0.86967(6) 0.24116(16) 0.44355(5) 0.0393(3) Uani 1 1 d . . . . .
C1 C 0.23624(18) 0.2811(4) 0.79282(16) 0.0225(6) Uani 1 1 d D . . . .
C3 C 0.34133(17) 0.3115(4) 0.73344(16) 0.0209(6) Uani 1 1 d D . . . .
C4 C 0.32471(17) 0.4737(4) 0.74533(15) 0.0203(6) Uani 1 1 d D . . . .
C5 C 0.37202(17) 0.5841(3) 0.71482(15) 0.0187(6) Uani 1 1 d . . . . .
C6 C 0.42459(16) 0.5032(3) 0.68058(15) 0.0170(6) Uani 1 1 d . . . . .
C7 C 0.46725(16) 0.6116(3) 0.64435(14) 0.0158(5) Uani 1 1 d . . . . .
C8 C 0.44207(18) 0.7727(3) 0.65064(16) 0.0212(6) Uani 1 1 d . . . . .
C9 C 0.54207(18) 0.7627(4) 0.57892(16) 0.0216(6) Uani 1 1 d . . . . .
C10 C 0.52772(16) 0.6065(3) 0.60269(15) 0.0171(6) Uani 1 1 d . . . . .
C11 C 0.57787(16) 0.4903(3) 0.57848(15) 0.0173(6) Uani 1 1 d . . . . .
C12 C 0.62526(17) 0.5595(3) 0.53643(15) 0.0189(6) Uani 1 1 d . . . . .
C13 C 0.66866(17) 0.2898(4) 0.54157(16) 0.0206(6) Uani 1 1 d D . . . .
C14 C 0.67789(17) 0.4447(4) 0.51370(15) 0.0204(6) Uani 1 1 d D . . . .
C16 C 0.77668(18) 0.2915(4) 0.47482(16) 0.0258(7) Uani 1 1 d D . . . .
C17 C 0.1599(2) -0.0392(4) 0.8227(2) 0.0374(8) Uani 1 1 d . . . . .
H17A H 0.154794 -0.079993 0.773396 0.056 Uiso 1 1 calc GR . . . .
H17B H 0.117977 -0.089398 0.843195 0.056 Uiso 1 1 calc GR . . . .
H17C H 0.213315 -0.068210 0.852525 0.056 Uiso 1 1 calc GR . . . .
C18 C 0.1422(2) 0.2696(5) 0.9113(2) 0.0442(9) Uani 1 1 d . . . . .
H18A H 0.193575 0.248918 0.946244 0.066 Uiso 1 1 calc GR . . . .
H18B H 0.098384 0.214129 0.927252 0.066 Uiso 1 1 calc GR . . . .
H18C H 0.131758 0.388406 0.907755 0.066 Uiso 1 1 calc GR . . . .
C19 C 0.0546(2) 0.2484(5) 0.7527(2) 0.0444(10) Uani 1 1 d . . . . .
H19A H 0.049592 0.368775 0.751529 0.067 Uiso 1 1 calc GR . . . .
H19B H 0.007377 0.199889 0.765762 0.067 Uiso 1 1 calc GR . . . .
H19C H 0.057906 0.208414 0.704913 0.067 Uiso 1 1 calc GR . . . .
C20 C 0.8537(3) 0.0444(8) 0.3928(3) 0.093(2) Uani 1 1 d . . . . .
H20A H 0.838340 -0.041624 0.423141 0.139 Uiso 1 1 calc GR . . . .
H20B H 0.903843 0.012357 0.379640 0.139 Uiso 1 1 calc GR . . . .
H20C H 0.810628 0.058236 0.348915 0.139 Uiso 1 1 calc GR . . . .
C21 C 0.9539(2) 0.2150(6) 0.5242(2) 0.0459(10) Uani 1 1 d . . . . .
H21A H 0.963113 0.318916 0.551148 0.069 Uiso 1 1 calc GR . . . .
H21B H 1.002948 0.183855 0.509080 0.069 Uiso 1 1 calc GR . . . .
H21C H 0.940135 0.128486 0.555147 0.069 Uiso 1 1 calc GR . . . .
C22 C 0.8916(3) 0.4143(9) 0.3883(3) 0.090(2) Uani 1 1 d . . . . .
H22A H 0.853316 0.412632 0.340926 0.136 Uiso 1 1 calc GR . . . .
H22B H 0.946825 0.403551 0.381869 0.136 Uiso 1 1 calc GR . . . .
H22C H 0.886439 0.518611 0.412714 0.136 Uiso 1 1 calc GR . . . .
S1 S 0.25025(5) 0.49367(11) 0.79231(5) 0.0229(2) Uani 0.893(2) 1 d D . P A 1
S7 S 0.73480(6) 0.14665(11) 0.52165(6) 0.0243(2) Uani 0.893(2) 1 d D . P A 1
C2 C 0.2910(3) 0.2048(6) 0.7616(2) 0.0267(9) Uani 0.893(2) 1 d D . P A 1
H2 H 0.294922 0.088255 0.759102 0.032 Uiso 0.893(2) 1 calc R . P A 1
C15 C 0.7400(3) 0.4404(5) 0.4741(2) 0.0220(9) Uani 0.893(2) 1 d D . P A 1
H15 H 0.754100 0.533629 0.449474 0.026 Uiso 0.893(2) 1 calc R . P A 1
S1A S 0.2914(6) 0.1459(10) 0.7607(6) 0.0229(2) Uani 0.107(2) 1 d D . P A 2
S7A S 0.7469(7) 0.4852(12) 0.4661(7) 0.0243(2) Uani 0.107(2) 1 d D . P A 2
C2A C 0.2561(16) 0.4422(17) 0.7772(19) 0.0267(9) Uani 0.107(2) 1 d D . P A 2
H2A H 0.224743 0.531885 0.787482 0.032 Uiso 0.107(2) 1 calc R . P A 2
C15A C 0.7286(17) 0.205(3) 0.5150(18) 0.0220(9) Uani 0.107(2) 1 d D . P A 2
H15A H 0.736690 0.090053 0.523852 0.026 Uiso 0.107(2) 1 calc R . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
S2 C3 1.744(3) . ?
S2 C6 1.738(3) . ?
S3 C5 1.739(3) . ?
S3 C8 1.728(3) . ?
S4 C8 1.734(3) . ?
S4 C9 1.731(3) . ?
S5 C9 1.732(3) . ?
S5 C12 1.729(3) . ?
S6 C11 1.746(3) . ?
S6 C13 1.733(3) . ?
Si1 C1 1.871(3) . ?
Si1 C17 1.856(4) . ?
Si1 C18 1.868(4) . ?
Si1 C19 1.862(4) . ?
Si2 C16 1.865(3) . ?
Si2 C20 1.853(5) . ?
Si2 C21 1.848(4) . ?
Si2 C22 1.846(5) . ?
C1 S1 1.742(3) . ?
C1 C2 1.368(5) . ?
C1 S1A 1.654(9) . ?
C1 C2A 1.400(14) . ?
C3 C4 1.376(4) . ?
C3 C2 1.411(5) . ?
C3 S1A 1.734(9) . ?
C4 C5 1.418(4) . ?
C4 S1 1.724(3) . ?
C4 C2A 1.462(14) . ?
C5 C6 1.391(4) . ?
C6 C7 1.420(4) . ?
C7 C8 1.390(4) . ?
C7 C10 1.442(4) . ?
C9 C10 1.387(4) . ?
C10 C11 1.421(4) . ?
C11 C12 1.384(4) . ?
C12 C14 1.429(4) . ?
C13 C14 1.387(4) . ?
C13 S7 1.722(3) . ?
C13 C15A 1.421(18) . ?
C14 C15 1.438(5) . ?
C14 S7A 1.677(10) . ?
C16 S7 1.728(3) . ?
C16 C15 1.360(5) . ?
C16 S7A 1.648(10) . ?
C16 C15A 1.431(17) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
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 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C2 H2 0.9500 . ?
C15 H15 0.9500 . ?
C2A H2A 0.9500 . ?
C15A H15A 0.9500 . ?

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
C6 S2 C3 90.56(13) . . ?
C8 S3 C5 89.45(14) . . ?
C9 S4 C8 88.80(14) . . ?
C12 S5 C9 89.37(14) . . ?
C13 S6 C11 89.96(14) . . ?
C17 Si1 C1 108.27(16) . . ?
C17 Si1 C18 111.32(18) . . ?
C17 Si1 C19 110.29(18) . . ?
C18 Si1 C1 109.93(16) . . ?
C19 Si1 C1 107.82(16) . . ?
C19 Si1 C18 109.14(19) . . ?
C20 Si2 C16 108.9(2) . . ?
C21 Si2 C16 108.07(15) . . ?
C21 Si2 C20 108.9(2) . . ?
C22 Si2 C16 108.53(19) . . ?
C22 Si2 C20 112.5(3) . . ?
C22 Si2 C21 109.8(2) . . ?
S1 C1 Si1 121.43(16) . . ?
C2 C1 Si1 128.3(3) . . ?
C2 C1 S1 109.7(3) . . ?
S1A C1 Si1 113.8(3) . . ?
C2A C1 Si1 133.5(7) . . ?
C2A C1 S1A 110.7(7) . . ?
C4 C3 S2 112.6(2) . . ?
C4 C3 C2 110.9(3) . . ?
C4 C3 S1A 123.9(4) . . ?
C2 C3 S2 136.4(3) . . ?
S1A C3 S2 123.5(3) . . ?
C3 C4 C5 112.2(2) . . ?
C3 C4 S1 112.4(2) . . ?
C3 C4 C2A 96.7(6) . . ?
C5 C4 S1 135.4(2) . . ?
C5 C4 C2A 150.3(6) . . ?
C4 C5 S3 134.5(2) . . ?
C6 C5 S3 112.5(2) . . ?
C6 C5 C4 112.7(3) . . ?
C5 C6 S2 111.9(2) . . ?
C5 C6 C7 113.3(2) . . ?
C7 C6 S2 134.4(2) . . ?
C6 C7 C10 139.8(2) . . ?
C8 C7 C6 109.7(2) . . ?
C8 C7 C10 110.5(2) . . ?
S3 C8 S4 130.11(17) . . ?
C7 C8 S3 115.0(2) . . ?
C7 C8 S4 114.9(2) . . ?
S4 C9 S5 130.30(17) . . ?
C10 C9 S4 114.9(2) . . ?
C10 C9 S5 114.8(2) . . ?
C9 C10 C7 111.0(2) . . ?
C9 C10 C11 109.5(2) . . ?
C11 C10 C7 139.5(3) . . ?
C10 C11 S6 134.7(2) . . ?
C12 C11 S6 111.9(2) . . ?
C12 C11 C10 113.3(3) . . ?
C11 C12 S5 112.8(2) . . ?
C11 C12 C14 113.8(2) . . ?
C14 C12 S5 133.2(2) . . ?
C14 C13 S6 114.5(2) . . ?
C14 C13 S7 112.8(2) . . ?
C14 C13 C15A 98.5(9) . . ?
S7 C13 S6 132.54(18) . . ?
C15A C13 S6 146.9(9) . . ?
C12 C14 C15 140.0(3) . . ?
C12 C14 S7A 127.3(4) . . ?
C13 C14 C12 109.8(2) . . ?
C13 C14 C15 110.1(3) . . ?
C13 C14 S7A 122.8(4) . . ?
S7 C16 Si2 120.11(18) . . ?
C15 C16 Si2 127.9(3) . . ?
C15 C16 S7 111.4(3) . . ?
S7A C16 Si2 116.2(4) . . ?
C15A C16 Si2 134.4(9) . . ?
C15A C16 S7A 108.7(10) . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
Si2 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C4 S1 C1 91.62(14) . . ?
C13 S7 C16 91.52(15) . . ?
C1 C2 C3 115.2(4) . . ?
C1 C2 H2 122.4 . . ?
C3 C2 H2 122.4 . . ?
C14 C15 H15 122.9 . . ?
C16 C15 C14 114.2(3) . . ?
C16 C15 H15 122.9 . . ?
C1 S1A C3 87.6(4) . . ?
C16 S7A C14 89.9(5) . . ?
C1 C2A C4 120.6(10) . . ?
C1 C2A H2A 119.7 . . ?
C4 C2A H2A 119.7 . . ?
C13 C15A C16 120.1(16) . . ?
C13 C15A H15A 119.9 . . ?
C16 C15A H15A 119.9 . . ?

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
S2 C3 C4 C5 0.4(3) . . . . ?
S2 C3 C4 S1 179.37(15) . . . . ?
S2 C3 C4 C2A 173.5(16) . . . . ?
S2 C3 C2 C1 -175.9(3) . . . . ?
S2 C3 S1A C1 -176.7(3) . . . . ?
S2 C6 C7 C8 170.4(2) . . . . ?
S2 C6 C7 C10 -8.8(6) . . . . ?
S3 C5 C6 S2 -173.86(14) . . . . ?
S3 C5 C6 C7 0.6(3) . . . . ?
S4 C9 C10 C7 1.8(3) . . . . ?
S4 C9 C10 C11 -178.0(2) . . . . ?
S5 C9 C10 C7 -177.9(2) . . . . ?
S5 C9 C10 C11 2.4(3) . . . . ?
S5 C12 C14 C13 175.6(2) . . . . ?
S5 C12 C14 C15 -0.4(6) . . . . ?
S5 C12 C14 S7A 0.1(8) . . . . ?
S6 C11 C12 S5 -175.79(14) . . . . ?
S6 C11 C12 C14 1.6(3) . . . . ?
S6 C13 C14 C12 0.1(3) . . . . ?
S6 C13 C14 C15 177.4(3) . . . . ?
S6 C13 C14 S7A 175.9(6) . . . . ?
S6 C13 S7 C16 -175.4(2) . . . . ?
S6 C13 C15A C16 -173.6(5) . . . . ?
Si1 C1 S1 C4 -168.5(2) . . . . ?
Si1 C1 C2 C3 167.9(3) . . . . ?
Si1 C1 S1A C3 169.7(3) . . . . ?
Si1 C1 C2A C4 -170.2(13) . . . . ?
Si2 C16 S7 C13 171.1(2) . . . . ?
Si2 C16 C15 C14 -169.4(3) . . . . ?
Si2 C16 S7A C14 -171.5(3) . . . . ?
Si2 C16 C15A C13 168.3(12) . . . . ?
C3 S2 C6 C5 -0.1(2) . . . . ?
C3 S2 C6 C7 -173.0(3) . . . . ?
C3 C4 C5 S3 172.0(2) . . . . ?
C3 C4 C5 C6 -0.5(4) . . . . ?
C3 C4 S1 C1 -2.9(2) . . . . ?
C3 C4 C2A C1 7(3) . . . . ?
C4 C3 C2 C1 1.3(5) . . . . ?
C4 C3 S1A C1 1.0(7) . . . . ?
C4 C5 C6 S2 0.4(3) . . . . ?
C4 C5 C6 C7 174.8(2) . . . . ?
C5 S3 C8 S4 179.5(2) . . . . ?
C5 S3 C8 C7 -2.5(2) . . . . ?
C5 C4 S1 C1 175.7(3) . . . . ?
C5 C4 C2A C1 174.1(5) . . . . ?
C5 C6 C7 C8 -2.4(3) . . . . ?
C5 C6 C7 C10 178.4(3) . . . . ?
C6 S2 C3 C4 -0.2(2) . . . . ?
C6 S2 C3 C2 177.0(4) . . . . ?
C6 S2 C3 S1A 177.7(5) . . . . ?
C6 C7 C8 S3 3.2(3) . . . . ?
C6 C7 C8 S4 -178.5(2) . . . . ?
C6 C7 C10 C9 177.5(3) . . . . ?
C6 C7 C10 C11 -2.9(7) . . . . ?
C7 C10 C11 S6 -6.1(6) . . . . ?
C7 C10 C11 C12 178.5(3) . . . . ?
C8 S3 C5 C4 -171.5(3) . . . . ?
C8 S3 C5 C6 1.0(2) . . . . ?
C8 S4 C9 S5 178.5(2) . . . . ?
C8 S4 C9 C10 -1.0(2) . . . . ?
C8 C7 C10 C9 -1.7(3) . . . . ?
C8 C7 C10 C11 177.9(3) . . . . ?
C9 S4 C8 S3 178.0(2) . . . . ?
C9 S4 C8 C7 0.0(2) . . . . ?
C9 S5 C12 C11 0.6(2) . . . . ?
C9 S5 C12 C14 -176.2(3) . . . . ?
C9 C10 C11 S6 173.5(2) . . . . ?
C9 C10 C11 C12 -1.9(3) . . . . ?
C10 C7 C8 S3 -177.3(2) . . . . ?
C10 C7 C8 S4 1.0(3) . . . . ?
C10 C11 C12 S5 0.7(3) . . . . ?
C10 C11 C12 C14 178.1(2) . . . . ?
C11 S6 C13 C14 0.6(2) . . . . ?
C11 S6 C13 S7 175.8(2) . . . . ?
C11 S6 C13 C15A 176(3) . . . . ?
C11 C12 C14 C13 -1.1(4) . . . . ?
C11 C12 C14 C15 -177.2(4) . . . . ?
C11 C12 C14 S7A -176.6(6) . . . . ?
C12 S5 C9 S4 178.7(2) . . . . ?
C12 S5 C9 C10 -1.7(2) . . . . ?
C12 C14 C15 C16 173.9(4) . . . . ?
C12 C14 S7A C16 175.5(3) . . . . ?
C13 S6 C11 C10 -176.7(3) . . . . ?
C13 S6 C11 C12 -1.2(2) . . . . ?
C13 C14 C15 C16 -2.1(5) . . . . ?
C13 C14 S7A C16 0.5(8) . . . . ?
C14 C13 S7 C16 -0.2(2) . . . . ?
C14 C13 C15A C16 2(3) . . . . ?
C17 Si1 C1 S1 -174.52(19) . . . . ?
C17 Si1 C1 C2 15.1(4) . . . . ?
C17 Si1 C1 S1A 12.1(5) . . . . ?
C17 Si1 C1 C2A 174(2) . . . . ?
C18 Si1 C1 S1 -52.7(3) . . . . ?
C18 Si1 C1 C2 136.9(4) . . . . ?
C18 Si1 C1 S1A 133.9(5) . . . . ?
C18 Si1 C1 C2A -64(2) . . . . ?
C19 Si1 C1 S1 66.2(2) . . . . ?
C19 Si1 C1 C2 -104.2(4) . . . . ?
C19 Si1 C1 S1A -107.2(5) . . . . ?
C19 Si1 C1 C2A 55(2) . . . . ?
C20 Si2 C16 S7 51.7(3) . . . . ?
C20 Si2 C16 C15 -137.6(4) . . . . ?
C20 Si2 C16 S7A -137.2(6) . . . . ?
C20 Si2 C16 C15A 53(2) . . . . ?
C21 Si2 C16 S7 -66.5(3) . . . . ?
C21 Si2 C16 C15 104.2(4) . . . . ?
C21 Si2 C16 S7A 104.6(6) . . . . ?
C21 Si2 C16 C15A -65(2) . . . . ?
C22 Si2 C16 S7 174.5(3) . . . . ?
C22 Si2 C16 C15 -14.8(4) . . . . ?
C22 Si2 C16 S7A -14.4(6) . . . . ?
C22 Si2 C16 C15A 176(2) . . . . ?
S1 C1 C2 C3 -3.4(5) . . . . ?
S1 C4 C5 S3 -6.6(5) . . . . ?
S1 C4 C5 C6 -179.1(2) . . . . ?
S7 C13 C14 C12 -176.0(2) . . . . ?
S7 C13 C14 C15 1.3(4) . . . . ?
S7 C16 C15 C14 2.0(5) . . . . ?
C2 C1 S1 C4 3.5(3) . . . . ?
C2 C3 C4 C5 -177.5(3) . . . . ?
C2 C3 C4 S1 1.5(4) . . . . ?
C15 C16 S7 C13 -1.0(3) . . . . ?
S1A C1 C2A C4 -7(3) . . . . ?
S1A C3 C4 C5 -177.5(5) . . . . ?
S1A C3 C4 C2A -4.5(16) . . . . ?
S7A C16 C15A C13 -2(3) . . . . ?
C2A C1 S1A C3 3.3(19) . . . . ?
C2A C4 C5 S3 6(3) . . . . ?
C2A C4 C5 C6 -166(3) . . . . ?
C15A C13 C14 C12 -177.2(16) . . . . ?
C15A C13 C14 S7A -1.4(16) . . . . ?
C15A C16 S7A C14 0.6(18) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a_CCDC1
_database_code_depnum_ccdc_archive 'CCDC 1991717'
loop_
_audit_author_name
_audit_author_address
'Hua Wang'
;Henan University
China
;
_audit_update_record             
;
2020-03-20 deposited with the CCDC.	2020-10-23 downloaded from the CCDC.
;
_audit_creation_date             2020-03-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H28 S7 Si3'
_chemical_formula_sum            'C25 H28 S7 Si3'
_chemical_formula_weight         637.16
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   19.581(3)
_cell_length_b                   11.5417(15)
_cell_length_c                   13.894(2)
_cell_angle_alpha                90
_cell_angle_beta                 93.100(5)
_cell_angle_gamma                90
_cell_volume                     3135.6(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6250
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.142
_cell_measurement_theta_min      2.487
_shelx_estimated_absorpt_T_max   0.957
_shelx_estimated_absorpt_T_min   0.879
_exptl_absorpt_coefficient_mu    0.633
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5563
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1020 before and 0.0773 after correction. The Ratio of minimum to maximum transmission is 0.7460. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.350
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.07
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0697
_diffrn_reflns_av_unetI/netI     0.0720
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            23591
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.295
_diffrn_ambient_temperature      150.01
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4036
_reflns_number_total             6145
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.793
_refine_diff_density_min         -0.446
_refine_diff_density_rms         0.094
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         6145
_refine_ls_number_restraints     18
_refine_ls_R_factor_all          0.1061
_refine_ls_R_factor_gt           0.0617
_refine_ls_restrained_S_all      1.040
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0448P)²+11.4913P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1380
_refine_ls_wR_factor_ref         0.1629
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Si3 \\sim C23A \\sim C24A \\sim C25A: within 1.9A with sigma of 0.01 and sigma
for terminal atoms of 0.02
Si3 \\sim C23 \\sim C24 \\sim C25: within 1.9A with sigma of 0.01 and sigma for
terminal atoms of 0.02
3. Others
 Sof(C23)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24)=Sof(H24D)=Sof(H24E)=Sof(H24F)=
 Sof(C25)=Sof(H25D)=Sof(H25E)=Sof(H25F)=1-FVAR(1)
 Sof(C23A)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24A)=Sof(H24A)=Sof(H24B)=
 Sof(H24C)=Sof(C25A)=Sof(H25A)=Sof(H25B)=Sof(H25C)=FVAR(1)
4.a Aromatic/amide H refined with riding coordinates:
 C15(H15)
4.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23A(H23A,H23B,H23C),
 C24A(H24A,H24B,H24C), C25A(H25A,H25B,H25C), C23(H23D,H23E,H23F), C24(H24D,H24E,
 H24F), C25(H25D,H25E,H25F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
S1 S 0.24166(7) 0.21237(12) 0.49495(11) 0.0407(3) Uani 1 1 d . . . . .
S2 S 0.45214(6) 0.28050(11) 0.56174(9) 0.0315(3) Uani 1 1 d . . . . .
S3 S 0.35975(6) 0.60393(11) 0.61043(10) 0.0335(3) Uani 1 1 d . . . . .
S4 S 0.49286(6) 0.73194(11) 0.68694(10) 0.0331(3) Uani 1 1 d . . . . .
S5 S 0.64785(6) 0.67869(11) 0.72937(10) 0.0341(3) Uani 1 1 d . . . . .
S6 S 0.63916(6) 0.32275(11) 0.66663(10) 0.0356(3) Uani 1 1 d . . . . .
S7 S 0.79272(7) 0.27523(13) 0.74079(12) 0.0460(4) Uani 1 1 d . . . . .
Si1 Si 0.34938(8) 0.01714(12) 0.47192(11) 0.0361(4) Uani 1 1 d . . . . .
Si2 Si 0.18246(8) 0.44741(14) 0.55941(13) 0.0447(4) Uani 1 1 d . . . . .
Si3 Si 0.93019(9) 0.39064(19) 0.82224(18) 0.0725(6) Uani 1 1 d . U . . .
C1 C 0.3260(3) 0.1700(4) 0.5027(4) 0.0338(12) Uani 1 1 d . . . . .
C2 C 0.3642(2) 0.2643(4) 0.5327(3) 0.0292(11) Uani 1 1 d . . . . .
C3 C 0.3261(3) 0.3677(4) 0.5481(4) 0.0327(11) Uani 1 1 d . . . . .
C4 C 0.2560(3) 0.3540(4) 0.5306(4) 0.0373(12) Uani 1 1 d . . . . .
C5 C 0.3716(2) 0.4576(4) 0.5818(3) 0.0301(11) Uani 1 1 d . . . . .
C6 C 0.4386(2) 0.4250(4) 0.5947(3) 0.0266(10) Uani 1 1 d . . . . .
C7 C 0.4834(2) 0.5150(4) 0.6302(3) 0.0298(11) Uani 1 1 d . . . . .
C8 C 0.4459(2) 0.6153(4) 0.6405(3) 0.0289(11) Uani 1 1 d . . . . .
C9 C 0.5649(2) 0.6468(4) 0.6909(4) 0.0310(11) Uani 1 1 d . . . . .
C10 C 0.5540(2) 0.5319(4) 0.6616(3) 0.0300(11) Uani 1 1 d . . . . .
C11 C 0.6162(2) 0.4682(4) 0.6745(3) 0.0294(11) Uani 1 1 d . . . . .
C12 C 0.6699(2) 0.5362(4) 0.7095(4) 0.0325(11) Uani 1 1 d . . . . .
C13 C 0.7207(3) 0.3562(4) 0.7124(4) 0.0370(12) Uani 1 1 d . . . . .
C14 C 0.7313(3) 0.4730(4) 0.7319(4) 0.0340(12) Uani 1 1 d . . . . .
C15 C 0.7994(3) 0.4943(5) 0.7698(4) 0.0408(13) Uani 1 1 d . . . . .
H15 H 0.815722 0.569291 0.787236 0.049 Uiso 1 1 calc R . . . .
C16 C 0.8389(3) 0.3974(5) 0.7785(4) 0.0462(14) Uani 1 1 d . . . . .
C17 C 0.2703(3) -0.0722(5) 0.4698(5) 0.0601(18) Uani 1 1 d . . . . .
H17A H 0.250451 -0.068720 0.533015 0.090 Uiso 1 1 calc GR . . . .
H17B H 0.281540 -0.152790 0.454918 0.090 Uiso 1 1 calc GR . . . .
H17C H 0.237257 -0.042344 0.420470 0.090 Uiso 1 1 calc GR . . . .
C18 C 0.3879(3) 0.0161(5) 0.3526(4) 0.0452(14) Uani 1 1 d . . . . .
H18A H 0.354500 0.045283 0.303391 0.068 Uiso 1 1 calc GR . . . .
H18B H 0.400929 -0.063212 0.336507 0.068 Uiso 1 1 calc GR . . . .
H18C H 0.428531 0.065804 0.355099 0.068 Uiso 1 1 calc GR . . . .
C19 C 0.4126(4) -0.0375(6) 0.5652(4) 0.0590(18) Uani 1 1 d . . . . .
H19A H 0.449462 0.019278 0.575513 0.089 Uiso 1 1 calc GR . . . .
H19B H 0.431666 -0.111032 0.543796 0.089 Uiso 1 1 calc GR . . . .
H19C H 0.390027 -0.049662 0.625673 0.089 Uiso 1 1 calc GR . . . .
C20 C 0.1030(3) 0.3775(7) 0.5083(6) 0.080(2) Uani 1 1 d . . . . .
H20A H 0.105425 0.369929 0.438296 0.120 Uiso 1 1 calc GR . . . .
H20B H 0.063407 0.425283 0.522588 0.120 Uiso 1 1 calc GR . . . .
H20C H 0.098234 0.300604 0.536981 0.120 Uiso 1 1 calc GR . . . .
C21 C 0.1906(3) 0.5936(5) 0.5050(5) 0.0586(18) Uani 1 1 d . . . . .
H21A H 0.238493 0.618327 0.510755 0.088 Uiso 1 1 calc GR . . . .
H21B H 0.162350 0.648881 0.538720 0.088 Uiso 1 1 calc GR . . . .
H21C H 0.175137 0.590639 0.436731 0.088 Uiso 1 1 calc GR . . . .
C22 C 0.1816(3) 0.4558(6) 0.6937(5) 0.0583(17) Uani 1 1 d . . . . .
H22A H 0.175545 0.377903 0.720005 0.087 Uiso 1 1 calc GR . . . .
H22B H 0.143831 0.505532 0.711717 0.087 Uiso 1 1 calc GR . . . .
H22C H 0.225029 0.488236 0.719659 0.087 Uiso 1 1 calc GR . . . .
C23A C 0.9811(7) 0.3753(18) 0.7042(12) 0.099(6) Uani 0.531(10) 1 d . U P A 1
H23A H 0.966693 0.304443 0.669976 0.148 Uiso 0.531(10) 1 calc GR . P A 1
H23B H 1.030217 0.371380 0.721541 0.148 Uiso 0.531(10) 1 calc GR . P A 1
H23C H 0.971650 0.442520 0.662477 0.148 Uiso 0.531(10) 1 calc GR . P A 1
C24A C 0.9491(7) 0.2811(16) 0.8999(15) 0.100(6) Uani 0.531(10) 1 d . U P A 1
H24A H 0.924252 0.292099 0.958567 0.151 Uiso 0.531(10) 1 calc GR . P A 1
H24B H 0.998357 0.280430 0.916288 0.151 Uiso 0.531(10) 1 calc GR . P A 1
H24C H 0.935497 0.207247 0.869717 0.151 Uiso 0.531(10) 1 calc GR . P A 1
C25A C 0.9525(9) 0.5400(16) 0.871(2) 0.131(10) Uani 0.531(10) 1 d . U P A 1
H25A H 0.956457 0.594052 0.816990 0.196 Uiso 0.531(10) 1 calc GR . P A 1
H25B H 0.996118 0.536676 0.908779 0.196 Uiso 0.531(10) 1 calc GR . P A 1
H25C H 0.916472 0.566669 0.911833 0.196 Uiso 0.531(10) 1 calc GR . P A 1
C23 C 0.9762(8) 0.505(2) 0.7859(16) 0.097(6) Uani 0.469(10) 1 d . U P A 2
H23D H 0.983345 0.497953 0.716902 0.146 Uiso 0.469(10) 1 calc GR . P A 2
H23E H 1.020566 0.506618 0.822064 0.146 Uiso 0.469(10) 1 calc GR . P A 2
H23F H 0.951327 0.576909 0.797734 0.146 Uiso 0.469(10) 1 calc GR . P A 2
C24 C 0.9625(8) 0.2387(17) 0.7985(18) 0.109(6) Uani 0.469(10) 1 d . U P A 2
H24D H 0.935286 0.182333 0.832661 0.164 Uiso 0.469(10) 1 calc GR . P A 2
H24E H 1.010614 0.232593 0.821479 0.164 Uiso 0.469(10) 1 calc GR . P A 2
H24F H 0.958413 0.222756 0.729166 0.164 Uiso 0.469(10) 1 calc GR . P A 2
C25 C 0.9286(8) 0.3909(16) 0.9664(12) 0.081(6) Uani 0.469(10) 1 d . U P A 2
H25D H 0.915822 0.468145 0.988610 0.122 Uiso 0.469(10) 1 calc GR . P A 2
H25E H 0.974022 0.370670 0.994451 0.122 Uiso 0.469(10) 1 calc GR . P A 2
H25F H 0.895098 0.334007 0.986737 0.122 Uiso 0.469(10) 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
S1 C1 1.720(5) . ?
S1 C4 1.727(5) . ?
S2 C2 1.757(5) . ?
S2 C6 1.754(5) . ?
S3 C5 1.753(5) . ?
S3 C8 1.721(5) . ?
S4 C8 1.734(5) . ?
S4 C9 1.718(5) . ?
S5 C9 1.721(5) . ?
S5 C12 1.727(5) . ?
S6 C11 1.742(5) . ?
S6 C13 1.731(5) . ?
S7 C13 1.719(5) . ?
S7 C16 1.741(6) . ?
Si1 C1 1.878(5) . ?
Si1 C17 1.860(6) . ?
Si1 C18 1.858(6) . ?
Si1 C19 1.854(6) . ?
Si2 C4 1.859(5) . ?
Si2 C20 1.859(7) . ?
Si2 C21 1.859(6) . ?
Si2 C22 1.869(7) . ?
Si3 C16 1.858(6) . ?
Si3 C23A 1.973(15) . ?
Si3 C24A 1.690(16) . ?
Si3 C25A 1.894(19) . ?
Si3 C23 1.691(19) . ?
Si3 C24 1.900(17) . ?
Si3 C25 2.006(17) . ?
C1 C2 1.372(7) . ?
C2 C3 1.431(7) . ?
C3 C4 1.389(7) . ?
C3 C5 1.430(7) . ?
C5 C6 1.368(6) . ?
C6 C7 1.430(7) . ?
C7 C8 1.383(6) . ?
C7 C10 1.440(7) . ?
C9 C10 1.400(7) . ?
C10 C11 1.426(7) . ?
C11 C12 1.379(7) . ?
C12 C14 1.426(7) . ?
C13 C14 1.388(7) . ?
C14 C15 1.428(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.360(7) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
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 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23A H23A 0.9800 . ?
C23A H23B 0.9800 . ?
C23A H23C 0.9800 . ?
C24A H24A 0.9800 . ?
C24A H24B 0.9800 . ?
C24A H24C 0.9800 . ?
C25A H25A 0.9800 . ?
C25A H25B 0.9800 . ?
C25A H25C 0.9800 . ?
C23 H23D 0.9800 . ?
C23 H23E 0.9800 . ?
C23 H23F 0.9800 . ?
C24 H24D 0.9800 . ?
C24 H24E 0.9800 . ?
C24 H24F 0.9800 . ?
C25 H25D 0.9800 . ?
C25 H25E 0.9800 . ?
C25 H25F 0.9800 . ?

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 S1 C4 96.3(2) . . ?
C6 S2 C2 90.1(2) . . ?
C8 S3 C5 89.4(2) . . ?
C9 S4 C8 89.2(2) . . ?
C9 S5 C12 89.2(2) . . ?
C13 S6 C11 89.9(2) . . ?
C13 S7 C16 92.0(3) . . ?
C17 Si1 C1 108.2(3) . . ?
C18 Si1 C1 108.9(2) . . ?
C18 Si1 C17 111.1(3) . . ?
C19 Si1 C1 108.8(3) . . ?
C19 Si1 C17 110.2(3) . . ?
C19 Si1 C18 109.5(3) . . ?
C4 Si2 C20 108.0(3) . . ?
C4 Si2 C21 110.8(3) . . ?
C4 Si2 C22 107.1(3) . . ?
C20 Si2 C22 110.6(4) . . ?
C21 Si2 C20 109.0(3) . . ?
C21 Si2 C22 111.4(3) . . ?
C16 Si3 C23A 104.6(5) . . ?
C16 Si3 C25A 106.1(5) . . ?
C16 Si3 C24 107.8(6) . . ?
C16 Si3 C25 105.1(5) . . ?
C24A Si3 C16 114.4(6) . . ?
C24A Si3 C23A 111.1(9) . . ?
C24A Si3 C25A 114.5(10) . . ?
C25A Si3 C23A 105.1(10) . . ?
C23 Si3 C16 112.8(7) . . ?
C23 Si3 C24 118.8(10) . . ?
C23 Si3 C25 109.5(9) . . ?
C24 Si3 C25 101.4(9) . . ?
S1 C1 Si1 119.9(3) . . ?
C2 C1 S1 107.5(4) . . ?
C2 C1 Si1 132.7(4) . . ?
C1 C2 S2 131.8(4) . . ?
C1 C2 C3 115.2(4) . . ?
C3 C2 S2 112.9(4) . . ?
C4 C3 C2 113.4(4) . . ?
C4 C3 C5 137.0(5) . . ?
C5 C3 C2 109.5(4) . . ?
S1 C4 Si2 119.7(3) . . ?
C3 C4 S1 107.6(4) . . ?
C3 C4 Si2 131.7(4) . . ?
C3 C5 S3 133.3(4) . . ?
C6 C5 S3 111.9(4) . . ?
C6 C5 C3 114.8(4) . . ?
C5 C6 S2 112.7(4) . . ?
C5 C6 C7 114.3(4) . . ?
C7 C6 S2 133.0(4) . . ?
C6 C7 C10 139.8(4) . . ?
C8 C7 C6 108.9(4) . . ?
C8 C7 C10 111.2(4) . . ?
S3 C8 S4 130.0(3) . . ?
C7 C8 S3 115.5(4) . . ?
C7 C8 S4 114.5(4) . . ?
S4 C9 S5 130.3(3) . . ?
C10 C9 S4 114.8(4) . . ?
C10 C9 S5 114.8(4) . . ?
C9 C10 C7 110.2(4) . . ?
C9 C10 C11 109.7(4) . . ?
C11 C10 C7 140.1(5) . . ?
C10 C11 S6 135.3(4) . . ?
C12 C11 S6 112.1(4) . . ?
C12 C11 C10 112.3(4) . . ?
C11 C12 S5 114.0(4) . . ?
C11 C12 C14 113.8(4) . . ?
C14 C12 S5 131.8(4) . . ?
S7 C13 S6 133.8(3) . . ?
C14 C13 S6 114.4(4) . . ?
C14 C13 S7 111.8(4) . . ?
C12 C14 C15 138.8(5) . . ?
C13 C14 C12 109.8(4) . . ?
C13 C14 C15 111.4(5) . . ?
C14 C15 H15 123.0 . . ?
C16 C15 C14 114.0(5) . . ?
C16 C15 H15 123.0 . . ?
S7 C16 Si3 122.6(3) . . ?
C15 C16 S7 110.8(4) . . ?
C15 C16 Si3 126.6(4) . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
Si2 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si3 C23A H23A 109.5 . . ?
Si3 C23A H23B 109.5 . . ?
Si3 C23A H23C 109.5 . . ?
H23A C23A H23B 109.5 . . ?
H23A C23A H23C 109.5 . . ?
H23B C23A H23C 109.5 . . ?
Si3 C24A H24A 109.5 . . ?
Si3 C24A H24B 109.5 . . ?
Si3 C24A H24C 109.5 . . ?
H24A C24A H24B 109.5 . . ?
H24A C24A H24C 109.5 . . ?
H24B C24A H24C 109.5 . . ?
Si3 C25A H25A 109.5 . . ?
Si3 C25A H25B 109.5 . . ?
Si3 C25A H25C 109.5 . . ?
H25A C25A H25B 109.5 . . ?
H25A C25A H25C 109.5 . . ?
H25B C25A H25C 109.5 . . ?
Si3 C23 H23D 109.5 . . ?
Si3 C23 H23E 109.5 . . ?
Si3 C23 H23F 109.5 . . ?
H23D C23 H23E 109.5 . . ?
H23D C23 H23F 109.5 . . ?
H23E C23 H23F 109.5 . . ?
Si3 C24 H24D 109.5 . . ?
Si3 C24 H24E 109.5 . . ?
Si3 C24 H24F 109.5 . . ?
H24D C24 H24E 109.5 . . ?
H24D C24 H24F 109.5 . . ?
H24E C24 H24F 109.5 . . ?
Si3 C25 H25D 109.5 . . ?
Si3 C25 H25E 109.5 . . ?
Si3 C25 H25F 109.5 . . ?
H25D C25 H25E 109.5 . . ?
H25D C25 H25F 109.5 . . ?
H25E C25 H25F 109.5 . . ?

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
S1 C1 C2 S2 176.0(3) . . . . ?
S1 C1 C2 C3 -0.4(6) . . . . ?
S2 C2 C3 C4 -176.5(4) . . . . ?
S2 C2 C3 C5 1.1(5) . . . . ?
S2 C6 C7 C8 177.3(4) . . . . ?
S2 C6 C7 C10 -5.9(10) . . . . ?
S3 C5 C6 S2 -177.5(2) . . . . ?
S3 C5 C6 C7 1.3(5) . . . . ?
S4 C9 C10 C7 2.8(5) . . . . ?
S4 C9 C10 C11 -175.9(3) . . . . ?
S5 C9 C10 C7 -179.5(3) . . . . ?
S5 C9 C10 C11 1.8(5) . . . . ?
S5 C12 C14 C13 172.2(4) . . . . ?
S5 C12 C14 C15 -6.4(10) . . . . ?
S6 C11 C12 S5 -174.3(3) . . . . ?
S6 C11 C12 C14 -0.4(6) . . . . ?
S6 C13 C14 C12 0.8(6) . . . . ?
S6 C13 C14 C15 179.8(4) . . . . ?
S7 C13 C14 C12 -178.6(4) . . . . ?
S7 C13 C14 C15 0.4(6) . . . . ?
Si1 C1 C2 S2 -4.0(8) . . . . ?
Si1 C1 C2 C3 179.6(4) . . . . ?
C1 S1 C4 Si2 -169.3(3) . . . . ?
C1 S1 C4 C3 0.2(4) . . . . ?
C1 C2 C3 C4 0.6(7) . . . . ?
C1 C2 C3 C5 178.3(4) . . . . ?
C2 S2 C6 C5 -1.4(4) . . . . ?
C2 S2 C6 C7 -179.9(5) . . . . ?
C2 C3 C4 S1 -0.4(6) . . . . ?
C2 C3 C4 Si2 167.3(4) . . . . ?
C2 C3 C5 S3 177.6(4) . . . . ?
C2 C3 C5 C6 -2.2(6) . . . . ?
C3 C5 C6 S2 2.3(6) . . . . ?
C3 C5 C6 C7 -178.8(4) . . . . ?
C4 S1 C1 Si1 -179.9(3) . . . . ?
C4 S1 C1 C2 0.2(4) . . . . ?
C4 C3 C5 S3 -5.6(10) . . . . ?
C4 C3 C5 C6 174.6(6) . . . . ?
C5 S3 C8 S4 -176.8(4) . . . . ?
C5 S3 C8 C7 0.0(4) . . . . ?
C5 C3 C4 S1 -177.2(5) . . . . ?
C5 C3 C4 Si2 -9.5(10) . . . . ?
C5 C6 C7 C8 -1.3(6) . . . . ?
C5 C6 C7 C10 175.6(6) . . . . ?
C6 S2 C2 C1 -176.4(5) . . . . ?
C6 S2 C2 C3 0.1(4) . . . . ?
C6 C7 C8 S3 0.7(5) . . . . ?
C6 C7 C8 S4 178.0(3) . . . . ?
C6 C7 C10 C9 -178.6(6) . . . . ?
C6 C7 C10 C11 -0.6(11) . . . . ?
C7 C10 C11 S6 -6.4(10) . . . . ?
C7 C10 C11 C12 -179.5(6) . . . . ?
C8 S3 C5 C3 179.4(5) . . . . ?
C8 S3 C5 C6 -0.8(4) . . . . ?
C8 S4 C9 S5 -179.5(4) . . . . ?
C8 S4 C9 C10 -2.3(4) . . . . ?
C8 C7 C10 C9 -1.8(6) . . . . ?
C8 C7 C10 C11 176.2(6) . . . . ?
C9 S4 C8 S3 178.0(4) . . . . ?
C9 S4 C8 C7 1.2(4) . . . . ?
C9 S5 C12 C11 0.4(4) . . . . ?
C9 S5 C12 C14 -172.0(5) . . . . ?
C9 C10 C11 S6 171.7(4) . . . . ?
C9 C10 C11 C12 -1.4(6) . . . . ?
C10 C7 C8 S3 -177.2(3) . . . . ?
C10 C7 C8 S4 0.2(5) . . . . ?
C10 C11 C12 S5 0.5(6) . . . . ?
C10 C11 C12 C14 174.3(4) . . . . ?
C11 S6 C13 S7 178.3(5) . . . . ?
C11 S6 C13 C14 -0.9(4) . . . . ?
C11 C12 C14 C13 -0.2(7) . . . . ?
C11 C12 C14 C15 -178.8(6) . . . . ?
C12 S5 C9 S4 175.9(4) . . . . ?
C12 S5 C9 C10 -1.3(4) . . . . ?
C12 C14 C15 C16 178.6(6) . . . . ?
C13 S6 C11 C10 -172.4(5) . . . . ?
C13 S6 C11 C12 0.7(4) . . . . ?
C13 S7 C16 Si3 -178.5(4) . . . . ?
C13 S7 C16 C15 0.5(5) . . . . ?
C13 C14 C15 C16 0.0(7) . . . . ?
C14 C15 C16 S7 -0.4(7) . . . . ?
C14 C15 C16 Si3 178.6(4) . . . . ?
C16 S7 C13 S6 -179.8(5) . . . . ?
C16 S7 C13 C14 -0.5(5) . . . . ?
C17 Si1 C1 S1 -15.4(4) . . . . ?
C17 Si1 C1 C2 164.5(5) . . . . ?
C18 Si1 C1 S1 105.5(3) . . . . ?
C18 Si1 C1 C2 -74.5(6) . . . . ?
C19 Si1 C1 S1 -135.2(3) . . . . ?
C19 Si1 C1 C2 44.8(6) . . . . ?
C20 Si2 C4 S1 -16.5(5) . . . . ?
C20 Si2 C4 C3 177.0(6) . . . . ?
C21 Si2 C4 S1 -135.8(4) . . . . ?
C21 Si2 C4 C3 57.7(6) . . . . ?
C22 Si2 C4 S1 102.5(4) . . . . ?
C22 Si2 C4 C3 -64.0(6) . . . . ?
C23A Si3 C16 S7 77.1(7) . . . . ?
C23A Si3 C16 C15 -101.8(8) . . . . ?
C24A Si3 C16 S7 -44.7(9) . . . . ?
C24A Si3 C16 C15 136.3(10) . . . . ?
C25A Si3 C16 S7 -172.0(10) . . . . ?
C25A Si3 C16 C15 9.0(11) . . . . ?
C23 Si3 C16 S7 141.8(10) . . . . ?
C23 Si3 C16 C15 -37.1(11) . . . . ?
C24 Si3 C16 S7 8.7(10) . . . . ?
C24 Si3 C16 C15 -170.3(10) . . . . ?
C25 Si3 C16 S7 -98.9(7) . . . . ?
C25 Si3 C16 C15 82.1(8) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a_CCDC2
_database_code_depnum_ccdc_archive 'CCDC 1991718'
loop_
_audit_author_name
_audit_author_address
'Hua Wang'
;Henan University
China
;
_audit_update_record             
;
2020-03-20 deposited with the CCDC.	2020-10-23 downloaded from the CCDC.
;
_audit_creation_date             2020-03-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C25 H28 S7 Si3'
_chemical_formula_sum            'C25 H28 S7 Si3'
_chemical_formula_weight         637.16
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 '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'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   6.3763(10)
_cell_length_b                   13.611(2)
_cell_length_c                   18.956(3)
_cell_angle_alpha                82.974(4)
_cell_angle_beta                 84.780(4)
_cell_angle_gamma                78.881(5)
_cell_volume                     1598.2(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    2751
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      24.171
_cell_measurement_theta_min      2.170
_shelx_estimated_absorpt_T_max   0.964
_shelx_estimated_absorpt_T_min   0.881
_exptl_absorpt_coefficient_mu    0.621
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7009
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0958 before and 0.0723 after correction. The Ratio of minimum to maximum transmission is 0.9399. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.324
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             664
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.06
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0986
_diffrn_reflns_av_unetI/netI     0.0862
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25184
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.499
_diffrn_reflns_theta_min         2.520
_diffrn_ambient_temperature      298.0
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3285
_reflns_number_total             5944
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.435
_refine_diff_density_min         -0.276
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         5944
_refine_ls_number_restraints     30
_refine_ls_R_factor_all          0.1307
_refine_ls_R_factor_gt           0.0594
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0546P)²+1.2359P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1604
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C24-C25 \\sim C24-C23 \\sim C25-C23
 with sigma of 0.01
 C24A-C25A \\sim C24A-C23A \\sim C25A-C23A
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
Si3 \\sim C23 \\sim C24 \\sim C25: within 1.9A with sigma of 0.02 and sigma for
terminal atoms of 0.04
Si3 \\sim C23A \\sim C24A \\sim C25A: within 1.9A with sigma of 0.02 and sigma
for terminal atoms of 0.04
4. Others
 Sof(C23A)=Sof(H23D)=Sof(H23E)=Sof(H23F)=Sof(C24A)=Sof(H24F)=Sof(H24D)=
 Sof(H24E)=Sof(C25A)=Sof(H25D)=Sof(H25E)=Sof(H25F)=1-FVAR(1)
 Sof(C23)=Sof(H23A)=Sof(H23B)=Sof(H23C)=Sof(C24)=Sof(H24A)=Sof(H24B)=Sof(H24C)=
 Sof(C25)=Sof(H25A)=Sof(H25B)=Sof(H25C)=FVAR(1)
5.a Aromatic/amide H refined with riding coordinates:
 C15(H15)
5.b Idealised Me refined as rotating group:
 C17(H17A,H17B,H17C), C18(H18A,H18B,H18C), C19(H19A,H19B,H19C), C20(H20A,H20B,
 H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,
 H24B,H24C), C25(H25A,H25B,H25C), C23A(H23D,H23E,H23F), C24A(H24F,H24D,H24E),
 C25A(H25D,H25E,H25F)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
S1 S 0.5474(2) 0.41265(11) 0.79407(7) 0.0606(4) Uani 1 1 d . . . . .
S2 S 0.3302(2) 0.30094(10) 0.61946(6) 0.0495(3) Uani 1 1 d . . . . .
S3 S -0.0057(2) 0.17002(11) 0.79663(7) 0.0606(4) Uani 1 1 d . . . . .
S4 S -0.2879(2) 0.06954(10) 0.71008(7) 0.0607(4) Uani 1 1 d . . . . .
S5 S -0.3592(2) 0.05638(10) 0.55006(8) 0.0594(4) Uani 1 1 d . . . . .
S6 S 0.1159(2) 0.21722(10) 0.46021(7) 0.0562(4) Uani 1 1 d . . . . .
S7 S -0.2957(3) 0.10790(11) 0.34272(8) 0.0668(4) Uani 1 1 d . . . . .
Si1 Si 0.6716(2) 0.49600(11) 0.63895(8) 0.0519(4) Uani 1 1 d . . . . .
Si2 Si 0.3007(3) 0.30013(16) 0.91778(8) 0.0757(5) Uani 1 1 d . . . . .
Si3 Si -0.1820(4) 0.19416(18) 0.18488(9) 0.0939(7) Uani 1 1 d . U . . .
C1 C 0.5441(8) 0.4078(4) 0.7038(2) 0.0489(12) Uani 1 1 d . . . . .
C2 C 0.4120(8) 0.3406(3) 0.6960(2) 0.0433(11) Uani 1 1 d . . . . .
C3 C 0.3124(8) 0.2987(4) 0.7610(2) 0.0448(12) Uani 1 1 d . . . . .
C4 C 0.3737(8) 0.3310(4) 0.8213(3) 0.0537(13) Uani 1 1 d . . . . .
C5 C 0.1688(8) 0.2352(3) 0.7450(2) 0.0462(12) Uani 1 1 d . . . . .
C6 C 0.1605(7) 0.2314(3) 0.6728(2) 0.0439(12) Uani 1 1 d . . . . .
C7 C 0.0092(8) 0.1736(3) 0.6574(2) 0.0447(12) Uani 1 1 d . . . . .
C8 C -0.0902(8) 0.1361(4) 0.7202(3) 0.0512(13) Uani 1 1 d . . . . .
C9 C -0.2362(8) 0.0887(4) 0.6186(3) 0.0505(13) Uani 1 1 d . . . . .
C10 C -0.0743(8) 0.1443(3) 0.5977(3) 0.0457(12) Uani 1 1 d . . . . .
C11 C -0.0518(8) 0.1588(4) 0.5212(3) 0.0508(13) Uani 1 1 d . . . . .
C12 C -0.1929(8) 0.1162(3) 0.4891(3) 0.0522(13) Uani 1 1 d . . . . .
C13 C -0.1699(9) 0.1325(4) 0.4136(3) 0.0548(14) Uani 1 1 d . . . . .
C14 C -0.0083(9) 0.1852(4) 0.3900(3) 0.0528(13) Uani 1 1 d . . . . .
C15 C 0.0140(10) 0.2075(4) 0.3143(3) 0.0655(16) Uani 1 1 d . . . . .
H15 H 0.115783 0.242423 0.290392 0.079 Uiso 1 1 calc R . . . .
C16 C -0.1332(10) 0.1711(4) 0.2815(3) 0.0666(16) Uani 1 1 d . . . . .
C17 C 0.7603(9) 0.4366(4) 0.5555(3) 0.0691(16) Uani 1 1 d . . . . .
H17A H 0.874473 0.380305 0.564642 0.104 Uiso 1 1 calc GR . . . .
H17B H 0.810044 0.484929 0.519920 0.104 Uiso 1 1 calc GR . . . .
H17C H 0.642269 0.413701 0.538757 0.104 Uiso 1 1 calc GR . . . .
C18 C 0.4688(9) 0.6115(4) 0.6204(3) 0.0712(17) Uani 1 1 d . . . . .
H18A H 0.348333 0.594619 0.600799 0.107 Uiso 1 1 calc GR . . . .
H18B H 0.530688 0.658566 0.586810 0.107 Uiso 1 1 calc GR . . . .
H18C H 0.422354 0.641338 0.663805 0.107 Uiso 1 1 calc GR . . . .
C19 C 0.8992(9) 0.5262(4) 0.6813(3) 0.0730(17) Uani 1 1 d . . . . .
H19A H 0.847564 0.554831 0.724885 0.109 Uiso 1 1 calc GR . . . .
H19B H 0.965472 0.573600 0.649583 0.109 Uiso 1 1 calc GR . . . .
H19C H 1.002210 0.465714 0.691476 0.109 Uiso 1 1 calc GR . . . .
C20 C 0.4113(13) 0.3823(7) 0.9697(3) 0.117(3) Uani 1 1 d . . . . .
H20A H 0.564943 0.367213 0.964530 0.175 Uiso 1 1 calc GR . . . .
H20B H 0.364108 0.370908 1.019052 0.175 Uiso 1 1 calc GR . . . .
H20C H 0.362224 0.451520 0.952427 0.175 Uiso 1 1 calc GR . . . .
C21 C 0.0064(11) 0.3247(8) 0.9339(4) 0.138(4) Uani 1 1 d . . . . .
H21A H -0.049492 0.393468 0.917380 0.206 Uiso 1 1 calc GR . . . .
H21B H -0.030927 0.312572 0.983995 0.206 Uiso 1 1 calc GR . . . .
H21C H -0.053338 0.280770 0.908689 0.206 Uiso 1 1 calc GR . . . .
C22 C 0.4129(16) 0.1652(6) 0.9427(4) 0.150(4) Uani 1 1 d . . . . .
H22A H 0.369307 0.124988 0.910378 0.225 Uiso 1 1 calc GR . . . .
H22B H 0.360795 0.145172 0.990350 0.225 Uiso 1 1 calc GR . . . .
H22C H 0.566403 0.155558 0.940093 0.225 Uiso 1 1 calc GR . . . .
C23 C -0.267(5) 0.3127(13) 0.1579(10) 0.173(11) Uani 0.513(17) 1 d D U P A 1
H23A H -0.407507 0.334356 0.179994 0.259 Uiso 0.513(17) 1 calc GR . P A 1
H23B H -0.273586 0.321003 0.107115 0.259 Uiso 0.513(17) 1 calc GR . P A 1
H23C H -0.170684 0.352541 0.170920 0.259 Uiso 0.513(17) 1 calc GR . P A 1
C24 C 0.052(3) 0.1262(17) 0.1345(14) 0.121(8) Uani 0.513(17) 1 d D U P A 1
H24A H 0.069913 0.055362 0.149872 0.181 Uiso 0.513(17) 1 calc GR . P A 1
H24B H 0.178726 0.150337 0.142994 0.181 Uiso 0.513(17) 1 calc GR . P A 1
H24C H 0.030199 0.137515 0.084529 0.181 Uiso 0.513(17) 1 calc GR . P A 1
C25 C -0.405(3) 0.113(2) 0.1736(8) 0.150(11) Uani 0.513(17) 1 d D U P A 1
H25A H -0.359607 0.045116 0.193898 0.225 Uiso 0.513(17) 1 calc GR . P A 1
H25B H -0.424096 0.114035 0.123857 0.225 Uiso 0.513(17) 1 calc GR . P A 1
H25C H -0.537729 0.141790 0.197535 0.225 Uiso 0.513(17) 1 calc GR . P A 1
C23A C -0.058(4) 0.3220(11) 0.1505(8) 0.108(7) Uani 0.487(17) 1 d D U P A 2
H23D H -0.122004 0.374600 0.179371 0.162 Uiso 0.487(17) 1 calc GR . P A 2
H23E H -0.087646 0.343238 0.101688 0.162 Uiso 0.487(17) 1 calc GR . P A 2
H23F H 0.094452 0.307795 0.154430 0.162 Uiso 0.487(17) 1 calc GR . P A 2
C24A C -0.051(4) 0.1041(15) 0.1313(14) 0.134(10) Uani 0.487(17) 1 d D U P A 2
H24F H -0.114532 0.044874 0.141147 0.200 Uiso 0.487(17) 1 calc GR . P A 2
H24D H 0.097298 0.087357 0.140823 0.200 Uiso 0.487(17) 1 calc GR . P A 2
H24E H -0.064476 0.130088 0.082168 0.200 Uiso 0.487(17) 1 calc GR . P A 2
C25A C -0.466(3) 0.237(2) 0.1772(9) 0.160(11) Uani 0.487(17) 1 d D U P A 2
H25D H -0.518607 0.195804 0.147951 0.240 Uiso 0.487(17) 1 calc GR . P A 2
H25E H -0.491479 0.305932 0.155767 0.240 Uiso 0.487(17) 1 calc GR . P A 2
H25F H -0.539672 0.233452 0.223644 0.240 Uiso 0.487(17) 1 calc GR . P A 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
S1 C1 1.723(5) . ?
S1 C4 1.720(5) . ?
S2 C2 1.763(5) . ?
S2 C6 1.747(5) . ?
S3 C5 1.718(5) . ?
S3 C8 1.733(5) . ?
S4 C8 1.725(5) . ?
S4 C9 1.732(5) . ?
S5 C9 1.719(5) . ?
S5 C12 1.733(5) . ?
S6 C11 1.729(5) . ?
S6 C14 1.748(5) . ?
S7 C13 1.724(5) . ?
S7 C16 1.745(6) . ?
Si1 C1 1.857(5) . ?
Si1 C17 1.858(6) . ?
Si1 C18 1.853(5) . ?
Si1 C19 1.855(6) . ?
Si2 C4 1.863(5) . ?
Si2 C20 1.848(7) . ?
Si2 C21 1.845(7) . ?
Si2 C22 1.858(8) . ?
Si3 C16 1.863(6) . ?
Si3 C23 1.635(16) . ?
Si3 C24 1.851(19) . ?
Si3 C25 1.998(18) . ?
Si3 C23A 2.060(15) . ?
Si3 C24A 1.73(2) . ?
Si3 C25A 1.808(16) . ?
C1 C2 1.386(6) . ?
C2 C3 1.438(6) . ?
C3 C4 1.387(6) . ?
C3 C5 1.447(6) . ?
C5 C6 1.382(6) . ?
C6 C7 1.427(6) . ?
C7 C8 1.385(6) . ?
C7 C10 1.422(6) . ?
C9 C10 1.397(7) . ?
C10 C11 1.439(6) . ?
C11 C12 1.380(7) . ?
C12 C13 1.418(7) . ?
C13 C14 1.379(7) . ?
C14 C15 1.429(7) . ?
C15 H15 0.9300 . ?
C15 C16 1.370(8) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C23A H23D 0.9600 . ?
C23A H23E 0.9600 . ?
C23A H23F 0.9600 . ?
C24A H24F 0.9600 . ?
C24A H24D 0.9600 . ?
C24A H24E 0.9600 . ?
C25A H25D 0.9600 . ?
C25A H25E 0.9600 . ?
C25A H25F 0.9600 . ?

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
C4 S1 C1 97.1(2) . . ?
C6 S2 C2 90.2(2) . . ?
C5 S3 C8 89.7(2) . . ?
C8 S4 C9 88.8(2) . . ?
C9 S5 C12 89.8(2) . . ?
C11 S6 C14 90.4(2) . . ?
C13 S7 C16 92.0(3) . . ?
C1 Si1 C17 109.4(2) . . ?
C18 Si1 C1 107.7(2) . . ?
C18 Si1 C17 109.9(3) . . ?
C18 Si1 C19 110.1(3) . . ?
C19 Si1 C1 107.6(2) . . ?
C19 Si1 C17 112.0(3) . . ?
C20 Si2 C4 109.0(3) . . ?
C20 Si2 C22 111.3(4) . . ?
C21 Si2 C4 109.5(3) . . ?
C21 Si2 C20 108.4(4) . . ?
C21 Si2 C22 110.7(5) . . ?
C22 Si2 C4 108.1(3) . . ?
C16 Si3 C25 104.8(5) . . ?
C16 Si3 C23A 103.7(5) . . ?
C23 Si3 C16 113.3(7) . . ?
C23 Si3 C24 117.8(10) . . ?
C23 Si3 C25 110.1(7) . . ?
C24 Si3 C16 108.4(8) . . ?
C24 Si3 C25 101.2(6) . . ?
C24A Si3 C16 117.1(9) . . ?
C24A Si3 C23A 105.6(7) . . ?
C24A Si3 C25A 117.8(8) . . ?
C25A Si3 C16 108.0(6) . . ?
C25A Si3 C23A 102.7(7) . . ?
S1 C1 Si1 120.5(3) . . ?
C2 C1 S1 106.2(4) . . ?
C2 C1 Si1 132.6(4) . . ?
C1 C2 S2 131.4(4) . . ?
C1 C2 C3 115.8(4) . . ?
C3 C2 S2 112.7(3) . . ?
C2 C3 C5 110.1(4) . . ?
C4 C3 C2 112.9(4) . . ?
C4 C3 C5 137.0(5) . . ?
S1 C4 Si2 120.7(3) . . ?
C3 C4 S1 107.9(4) . . ?
C3 C4 Si2 131.4(4) . . ?
C3 C5 S3 133.5(4) . . ?
C6 C5 S3 113.2(4) . . ?
C6 C5 C3 113.1(4) . . ?
C5 C6 S2 113.9(4) . . ?
C5 C6 C7 112.8(4) . . ?
C7 C6 S2 133.3(4) . . ?
C8 C7 C6 109.8(4) . . ?
C8 C7 C10 110.4(4) . . ?
C10 C7 C6 139.8(5) . . ?
S4 C8 S3 130.2(3) . . ?
C7 C8 S3 114.4(4) . . ?
C7 C8 S4 115.3(4) . . ?
S5 C9 S4 130.9(3) . . ?
C10 C9 S4 113.8(4) . . ?
C10 C9 S5 115.2(4) . . ?
C7 C10 C11 139.4(5) . . ?
C9 C10 C7 111.7(4) . . ?
C9 C10 C11 108.8(4) . . ?
C10 C11 S6 133.9(4) . . ?
C12 C11 S6 112.7(4) . . ?
C12 C11 C10 113.4(5) . . ?
C11 C12 S5 112.8(4) . . ?
C11 C12 C13 112.5(5) . . ?
C13 C12 S5 134.7(4) . . ?
C12 C13 S7 137.2(4) . . ?
C14 C13 S7 110.6(4) . . ?
C14 C13 C12 112.2(5) . . ?
C13 C14 S6 112.3(4) . . ?
C13 C14 C15 114.1(5) . . ?
C15 C14 S6 133.5(4) . . ?
C14 C15 H15 124.2 . . ?
C16 C15 C14 111.5(5) . . ?
C16 C15 H15 124.2 . . ?
S7 C16 Si3 121.7(4) . . ?
C15 C16 S7 111.7(4) . . ?
C15 C16 Si3 126.3(5) . . ?
Si1 C17 H17A 109.5 . . ?
Si1 C17 H17B 109.5 . . ?
Si1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
Si1 C18 H18A 109.5 . . ?
Si1 C18 H18B 109.5 . . ?
Si1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
Si1 C19 H19A 109.5 . . ?
Si1 C19 H19B 109.5 . . ?
Si1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
Si2 C20 H20A 109.5 . . ?
Si2 C20 H20B 109.5 . . ?
Si2 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si2 C21 H21A 109.5 . . ?
Si2 C21 H21B 109.5 . . ?
Si2 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si3 C23 H23A 109.5 . . ?
Si3 C23 H23B 109.5 . . ?
Si3 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si3 C24 H24A 109.5 . . ?
Si3 C24 H24B 109.5 . . ?
Si3 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si3 C25 H25A 109.5 . . ?
Si3 C25 H25B 109.5 . . ?
Si3 C25 H25C 109.5 . . ?
H25A C25 H25B 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si3 C23A H23D 109.5 . . ?
Si3 C23A H23E 109.5 . . ?
Si3 C23A H23F 109.5 . . ?
H23D C23A H23E 109.5 . . ?
H23D C23A H23F 109.5 . . ?
H23E C23A H23F 109.5 . . ?
Si3 C24A H24F 109.5 . . ?
Si3 C24A H24D 109.5 . . ?
Si3 C24A H24E 109.5 . . ?
H24F C24A H24D 109.5 . . ?
H24F C24A H24E 109.5 . . ?
H24D C24A H24E 109.5 . . ?
Si3 C25A H25D 109.5 . . ?
Si3 C25A H25E 109.5 . . ?
Si3 C25A H25F 109.5 . . ?
H25D C25A H25E 109.5 . . ?
H25D C25A H25F 109.5 . . ?
H25E C25A H25F 109.5 . . ?

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
S1 C1 C2 S2 178.4(3) . . . . ?
S1 C1 C2 C3 2.3(5) . . . . ?
S2 C2 C3 C4 -179.0(4) . . . . ?
S2 C2 C3 C5 -0.5(5) . . . . ?
S2 C6 C7 C8 -177.8(4) . . . . ?
S2 C6 C7 C10 0.3(10) . . . . ?
S3 C5 C6 S2 177.9(2) . . . . ?
S3 C5 C6 C7 -0.3(6) . . . . ?
S4 C9 C10 C7 -0.7(5) . . . . ?
S4 C9 C10 C11 -177.7(3) . . . . ?
S5 C9 C10 C7 176.1(3) . . . . ?
S5 C9 C10 C11 -0.9(5) . . . . ?
S5 C12 C13 S7 3.3(9) . . . . ?
S5 C12 C13 C14 -179.5(4) . . . . ?
S6 C11 C12 S5 179.3(2) . . . . ?
S6 C11 C12 C13 -1.4(6) . . . . ?
S6 C14 C15 C16 -175.2(4) . . . . ?
S7 C13 C14 S6 177.2(3) . . . . ?
S7 C13 C14 C15 0.8(6) . . . . ?
Si1 C1 C2 S2 7.5(8) . . . . ?
Si1 C1 C2 C3 -168.6(4) . . . . ?
C1 S1 C4 Si2 -179.9(3) . . . . ?
C1 S1 C4 C3 0.3(4) . . . . ?
C1 C2 C3 C4 -2.2(6) . . . . ?
C1 C2 C3 C5 176.3(4) . . . . ?
C2 S2 C6 C5 -1.7(4) . . . . ?
C2 S2 C6 C7 176.1(5) . . . . ?
C2 C3 C4 S1 0.9(5) . . . . ?
C2 C3 C4 Si2 -178.8(4) . . . . ?
C2 C3 C5 S3 -175.9(4) . . . . ?
C2 C3 C5 C6 -0.8(6) . . . . ?
C3 C5 C6 S2 1.7(6) . . . . ?
C3 C5 C6 C7 -176.5(4) . . . . ?
C4 S1 C1 Si1 170.8(3) . . . . ?
C4 S1 C1 C2 -1.5(4) . . . . ?
C4 C3 C5 S3 2.1(10) . . . . ?
C4 C3 C5 C6 177.3(6) . . . . ?
C5 S3 C8 S4 -176.4(4) . . . . ?
C5 S3 C8 C7 -0.5(4) . . . . ?
C5 C3 C4 S1 -177.1(5) . . . . ?
C5 C3 C4 Si2 3.2(10) . . . . ?
C5 C6 C7 C8 0.0(6) . . . . ?
C5 C6 C7 C10 178.1(6) . . . . ?
C6 S2 C2 C1 -175.0(5) . . . . ?
C6 S2 C2 C3 1.2(4) . . . . ?
C6 C7 C8 S3 0.3(5) . . . . ?
C6 C7 C8 S4 176.9(3) . . . . ?
C6 C7 C10 C9 -176.6(6) . . . . ?
C6 C7 C10 C11 -0.9(11) . . . . ?
C7 C10 C11 S6 5.6(10) . . . . ?
C7 C10 C11 C12 -175.1(6) . . . . ?
C8 S3 C5 C3 175.6(5) . . . . ?
C8 S3 C5 C6 0.4(4) . . . . ?
C8 S4 C9 S5 -176.5(4) . . . . ?
C8 S4 C9 C10 -0.3(4) . . . . ?
C8 C7 C10 C9 1.6(6) . . . . ?
C8 C7 C10 C11 177.2(6) . . . . ?
C9 S4 C8 S3 177.1(4) . . . . ?
C9 S4 C8 C7 1.2(4) . . . . ?
C9 S5 C12 C11 -0.3(4) . . . . ?
C9 S5 C12 C13 -179.4(5) . . . . ?
C9 C10 C11 S6 -178.7(4) . . . . ?
C9 C10 C11 C12 0.6(6) . . . . ?
C10 C7 C8 S3 -178.4(3) . . . . ?
C10 C7 C8 S4 -1.8(6) . . . . ?
C10 C11 C12 S5 -0.1(6) . . . . ?
C10 C11 C12 C13 179.2(4) . . . . ?
C11 S6 C14 C13 0.1(4) . . . . ?
C11 S6 C14 C15 175.5(5) . . . . ?
C11 C12 C13 S7 -175.8(4) . . . . ?
C11 C12 C13 C14 1.4(6) . . . . ?
C12 S5 C9 S4 176.9(4) . . . . ?
C12 S5 C9 C10 0.7(4) . . . . ?
C12 C13 C14 S6 -0.8(6) . . . . ?
C12 C13 C14 C15 -177.2(4) . . . . ?
C13 S7 C16 Si3 -173.2(4) . . . . ?
C13 S7 C16 C15 1.2(5) . . . . ?
C13 C14 C15 C16 0.2(7) . . . . ?
C14 S6 C11 C10 -180.0(5) . . . . ?
C14 S6 C11 C12 0.8(4) . . . . ?
C14 C15 C16 S7 -1.0(6) . . . . ?
C14 C15 C16 Si3 173.1(4) . . . . ?
C16 S7 C13 C12 176.1(6) . . . . ?
C16 S7 C13 C14 -1.1(4) . . . . ?
C17 Si1 C1 S1 152.3(3) . . . . ?
C17 Si1 C1 C2 -37.8(6) . . . . ?
C18 Si1 C1 S1 -88.2(4) . . . . ?
C18 Si1 C1 C2 81.7(6) . . . . ?
C19 Si1 C1 S1 30.5(4) . . . . ?
C19 Si1 C1 C2 -159.7(5) . . . . ?
C20 Si2 C4 S1 7.7(5) . . . . ?
C20 Si2 C4 C3 -172.6(5) . . . . ?
C21 Si2 C4 S1 126.1(4) . . . . ?
C21 Si2 C4 C3 -54.2(6) . . . . ?
C22 Si2 C4 S1 -113.3(5) . . . . ?
C22 Si2 C4 C3 66.4(6) . . . . ?
C23 Si3 C16 S7 110.6(13) . . . . ?
C23 Si3 C16 C15 -62.9(14) . . . . ?
C24 Si3 C16 S7 -116.7(8) . . . . ?
C24 Si3 C16 C15 69.7(9) . . . . ?
C25 Si3 C16 S7 -9.3(9) . . . . ?
C25 Si3 C16 C15 177.1(9) . . . . ?
C23A Si3 C16 S7 153.0(7) . . . . ?
C23A Si3 C16 C15 -20.5(8) . . . . ?
C24A Si3 C16 S7 -91.1(10) . . . . ?
C24A Si3 C16 C15 95.3(11) . . . . ?
C25A Si3 C16 S7 44.6(12) . . . . ?
C25A Si3 C16 C15 -129.0(12) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_a_CCDC3
_database_code_depnum_ccdc_archive 'CCDC 1991719'
loop_
_audit_author_name
_audit_author_address
'Hua Wang'
;Henan University
China
;
_audit_update_record             
;
2020-03-20 deposited with the CCDC.	2020-10-23 downloaded from the CCDC.
;
_audit_creation_date             2020-03-02
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C22 H20 S7 Si2'
_chemical_formula_sum            'C22 H20 S7 Si2'
_chemical_formula_weight         564.98
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 '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'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 1 2/c 1'
_space_group_name_Hall           '-C 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   9.767(2)
_cell_length_b                   8.0917(19)
_cell_length_c                   31.991(8)
_cell_angle_alpha                90
_cell_angle_beta                 92.755(5)
_cell_angle_gamma                90
_cell_volume                     2525.5(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    7427
_cell_measurement_temperature    230(2)
_cell_measurement_theta_max      28.453
_cell_measurement_theta_min      2.550
_shelx_estimated_absorpt_T_max   0.911
_shelx_estimated_absorpt_T_min   0.856
_exptl_absorpt_coefficient_mu    0.730
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4202
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1617 before and 0.1014 after correction. The Ratio of minimum to maximum transmission is 0.5635. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.486
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1168
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0536
_diffrn_reflns_av_unetI/netI     0.0605
_diffrn_reflns_Laue_measured_fraction_full 0.985
_diffrn_reflns_Laue_measured_fraction_max 0.980
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -42
_diffrn_reflns_number            9273
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.980
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.454
_diffrn_reflns_theta_min         2.550
_diffrn_ambient_temperature      230.39
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                2961
_reflns_number_total             3140
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         0.501
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.093
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     144
_refine_ls_number_reflns         3140
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0474
_refine_ls_R_factor_gt           0.0453
_refine_ls_restrained_S_all      1.084
_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)+(0.0307P)²+8.1718P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1188
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2)
2.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C11(H11A,H11B,H11C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
S1 S 0.44685(6) 0.43899(7) 0.37838(2) 0.02140(15) Uani 1 1 d . . . . .
S2 S 0.13657(6) 0.62938(7) 0.29783(2) 0.02256(15) Uani 1 1 d . . . . .
S3 S 0.23532(6) 0.12497(7) 0.31041(2) 0.02150(15) Uani 1 1 d . . . . .
S4 S 0.000000 -0.01090(10) 0.250000 0.02189(18) Uani 1 2 d S T P . .
Si1 Si 0.54361(6) 0.74321(9) 0.43287(2) 0.02165(17) Uani 1 1 d . . . . .
C1 C 0.4413(2) 0.6522(3) 0.38778(7) 0.0218(5) Uani 1 1 d . . . . .
C2 C 0.3438(3) 0.7270(3) 0.36189(7) 0.0230(5) Uani 1 1 d . . . . .
H2 H 0.326051 0.841207 0.361998 0.028 Uiso 1 1 calc R . . . .
C3 C 0.2723(2) 0.6130(3) 0.33484(7) 0.0209(4) Uani 1 1 d . . . . .
C4 C 0.3164(2) 0.4508(3) 0.34055(7) 0.0193(4) Uani 1 1 d . . . . .
C5 C 0.2393(2) 0.3387(3) 0.31473(7) 0.0188(4) Uani 1 1 d . . . . .
C6 C 0.1390(2) 0.4164(3) 0.28950(7) 0.0187(4) Uani 1 1 d . . . . .
C7 C 0.0562(2) 0.3025(3) 0.26531(7) 0.0182(4) Uani 1 1 d . . . . .
C8 C 0.0962(2) 0.1419(3) 0.27503(7) 0.0197(4) Uani 1 1 d . . . . .
C9 C 0.5750(3) 0.9662(3) 0.42204(10) 0.0343(6) Uani 1 1 d . . . . .
H9A H 0.611791 0.977865 0.394568 0.051 Uiso 1 1 calc GR . . . .
H9B H 0.640082 1.010099 0.443053 0.051 Uiso 1 1 calc GR . . . .
H9C H 0.489415 1.026707 0.422876 0.051 Uiso 1 1 calc GR . . . .
C10 C 0.4417(3) 0.7196(4) 0.48058(9) 0.0366(7) Uani 1 1 d . . . . .
H10A H 0.361054 0.789481 0.478027 0.055 Uiso 1 1 calc GR . . . .
H10B H 0.497461 0.751881 0.505142 0.055 Uiso 1 1 calc GR . . . .
H10C H 0.413819 0.605210 0.483306 0.055 Uiso 1 1 calc GR . . . .
C11 C 0.7076(3) 0.6244(4) 0.43908(9) 0.0326(6) Uani 1 1 d . . . . .
H11A H 0.687458 0.507362 0.441164 0.049 Uiso 1 1 calc GR . . . .
H11B H 0.758240 0.660410 0.464273 0.049 Uiso 1 1 calc GR . . . .
H11C H 0.762213 0.643715 0.415013 0.049 Uiso 1 1 calc GR . . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
S1 C1 1.753(3) . ?
S1 C4 1.718(2) . ?
S2 C3 1.740(2) . ?
S2 C6 1.744(2) . ?
S3 C5 1.735(2) . ?
S3 C8 1.731(2) . ?
S4 C8 1.727(2) . ?
S4 C8 1.727(2) 2 ?
Si1 C1 1.866(2) . ?
Si1 C9 1.866(3) . ?
Si1 C10 1.872(3) . ?
Si1 C11 1.871(3) . ?
C1 C2 1.372(3) . ?
C2 H2 0.9400 . ?
C2 C3 1.425(3) . ?
C3 C4 1.390(3) . ?
C4 C5 1.419(3) . ?
C5 C6 1.389(3) . ?
C6 C7 1.429(3) . ?
C7 C7 1.435(4) 2 ?
C7 C8 1.388(3) . ?
C9 H9A 0.9700 . ?
C9 H9B 0.9700 . ?
C9 H9C 0.9700 . ?
C10 H10A 0.9700 . ?
C10 H10B 0.9700 . ?
C10 H10C 0.9700 . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?

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
C4 S1 C1 92.17(11) . . ?
C3 S2 C6 90.75(11) . . ?
C8 S3 C5 89.24(11) . . ?
C8 S4 C8 88.53(16) . 2 ?
C1 Si1 C10 107.70(13) . . ?
C1 Si1 C11 107.67(12) . . ?
C9 Si1 C1 108.95(13) . . ?
C9 Si1 C10 110.40(14) . . ?
C9 Si1 C11 111.68(14) . . ?
C11 Si1 C10 110.31(14) . . ?
S1 C1 Si1 120.06(13) . . ?
C2 C1 S1 110.92(18) . . ?
C2 C1 Si1 128.52(19) . . ?
C1 C2 H2 123.6 . . ?
C1 C2 C3 112.7(2) . . ?
C3 C2 H2 123.6 . . ?
C2 C3 S2 134.34(19) . . ?
C4 C3 S2 112.48(18) . . ?
C4 C3 C2 113.1(2) . . ?
C3 C4 S1 111.07(18) . . ?
C3 C4 C5 112.0(2) . . ?
C5 C4 S1 136.87(18) . . ?
C4 C5 S3 133.85(18) . . ?
C6 C5 S3 113.12(18) . . ?
C6 C5 C4 112.9(2) . . ?
C5 C6 S2 111.89(18) . . ?
C5 C6 C7 112.8(2) . . ?
C7 C6 S2 135.11(18) . . ?
C6 C7 C7 139.80(13) . 2 ?
C8 C7 C6 109.7(2) . . ?
C8 C7 C7 110.54(13) . 2 ?
S4 C8 S3 129.72(14) . . ?
C7 C8 S3 115.11(17) . . ?
C7 C8 S4 115.17(18) . . ?
Si1 C9 H9A 109.5 . . ?
Si1 C9 H9B 109.5 . . ?
Si1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?

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
S1 C1 C2 C3 0.7(3) . . . . ?
S1 C4 C5 S3 3.3(4) . . . . ?
S1 C4 C5 C6 178.1(2) . . . . ?
S2 C3 C4 S1 -178.19(12) . . . . ?
S2 C3 C4 C5 -0.1(3) . . . . ?
S2 C6 C7 C7 6.8(5) . . . 2 ?
S2 C6 C7 C8 -172.04(19) . . . . ?
S3 C5 C6 S2 174.99(11) . . . . ?
S3 C5 C6 C7 -0.7(3) . . . . ?
Si1 C1 C2 C3 -171.10(18) . . . . ?
C1 S1 C4 C3 1.16(18) . . . . ?
C1 S1 C4 C5 -176.3(3) . . . . ?
C1 C2 C3 S2 176.6(2) . . . . ?
C1 C2 C3 C4 0.2(3) . . . . ?
C2 C3 C4 S1 -1.0(3) . . . . ?
C2 C3 C4 C5 177.1(2) . . . . ?
C3 S2 C6 C5 0.72(18) . . . . ?
C3 S2 C6 C7 175.0(2) . . . . ?
C3 C4 C5 S3 -174.13(19) . . . . ?
C3 C4 C5 C6 0.6(3) . . . . ?
C4 S1 C1 Si1 171.52(15) . . . . ?
C4 S1 C1 C2 -1.08(19) . . . . ?
C4 C5 C6 S2 -0.9(2) . . . . ?
C4 C5 C6 C7 -176.55(19) . . . . ?
C5 S3 C8 S4 -177.84(17) . . . . ?
C5 S3 C8 C7 2.21(18) . . . . ?
C5 C6 C7 C7 -178.9(3) . . . 2 ?
C5 C6 C7 C8 2.2(3) . . . . ?
C6 S2 C3 C2 -176.8(3) . . . . ?
C6 S2 C3 C4 -0.36(19) . . . . ?
C6 C7 C8 S3 -2.9(2) . . . . ?
C6 C7 C8 S4 177.12(15) . . . . ?
C7 C7 C8 S3 177.85(19) 2 . . . ?
C7 C7 C8 S4 -2.1(3) 2 . . . ?
C8 S3 C5 C4 173.9(2) . . . . ?
C8 S3 C5 C6 -0.83(18) . . . . ?
C8 S4 C8 S3 -179.2(2) 2 . . . ?
C8 S4 C8 C7 0.80(12) 2 . . . ?
C9 Si1 C1 S1 156.55(14) . . . . ?
C9 Si1 C1 C2 -32.3(3) . . . . ?
C10 Si1 C1 S1 -83.69(18) . . . . ?
C10 Si1 C1 C2 87.5(3) . . . . ?
C11 Si1 C1 S1 35.26(18) . . . . ?
C11 Si1 C1 C2 -153.6(2) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
