# Electronic Supplementary Material (ESI) for Polymer Chemistry.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_11
_database_code_depnum_ccdc_archive 'CCDC 2167804'
loop_
_audit_author_name
_audit_author_address
'Zhang Sutao'
;College of Chemistry, Jilin University, Changchun, Jilin
China
;
_audit_update_record             
;
2022-04-21 deposited with the CCDC.	2022-12-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C35 H34 Cl3 N2 Si2'
_chemical_formula_weight         645.17

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '

loop_
_symmetry_equiv_pos_as_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                   25.255(2)
_cell_length_b                   9.0380(6)
_cell_length_c                   16.9105(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 120.591(5)
_cell_angle_gamma                90.00
_cell_volume                     3322.7(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9595
_cell_measurement_theta_min      2.80
_cell_measurement_theta_max      28.26

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.290
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2292
_exptl_absorpt_coefficient_mu    0.375
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            40811
_diffrn_reflns_av_R_equivalents  0.0257
_diffrn_reflns_av_sigmaI/netI    0.0128
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.57
_diffrn_reflns_theta_max         28.25
_reflns_number_total             4104
_reflns_number_gt                3693
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0375P)²+4.8198P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4104
_refine_ls_number_parameters     198
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0369
_refine_ls_R_factor_gt           0.0318
_refine_ls_wR_factor_ref         0.0858
_refine_ls_wR_factor_gt          0.0811
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_restrained_S_all      1.046
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Si1 Si 0.085601(14) 0.69244(4) 0.49998(2) 0.01317(9) Uani 1 1 d . . .
Cl02 Cl 0.541169(18) 0.53872(5) 0.71381(3) 0.03352(10) Uani 1 1 d . . .
Cl03 Cl 0.5000 0.26151(7) 0.7500 0.04659(17) Uani 1 2 d S . .
N1 N 0.18058(5) 0.41581(13) 0.71671(8) 0.0207(2) Uani 1 1 d . . .
C10 C 0.32229(5) 0.46488(13) 0.54798(8) 0.0145(2) Uani 1 1 d . . .
C11 C 0.34468(5) 0.60318(13) 0.54179(8) 0.0137(2) Uani 1 1 d . . .
H006 H 0.3360 0.6867 0.5674 0.016 Uiso 1 1 calc R . .
C12 C 0.37947(5) 0.62340(13) 0.49917(8) 0.0137(2) Uani 1 1 d . . .
C5 C 0.28634(5) 0.44823(13) 0.59498(8) 0.0149(2) Uani 1 1 d . . .
C9 C 0.19855(5) 0.51123(13) 0.60946(8) 0.0136(2) Uani 1 1 d . . .
C3 C 0.14077(5) 0.57087(13) 0.59378(8) 0.0141(2) Uani 1 1 d . . .
C4 C 0.23255(5) 0.52883(13) 0.56505(8) 0.0135(2) Uani 1 1 d . . .
H00B H 0.2188 0.5954 0.5149 0.016 Uiso 1 1 calc R . .
C2 C 0.13273(6) 0.50834(15) 0.66138(9) 0.0178(2) Uani 1 1 d . . .
H00C H 0.0984 0.5270 0.6687 0.021 Uiso 1 1 calc R . .
C13 C 0.39046(6) 0.49850(15) 0.46068(9) 0.0191(3) Uani 1 1 d . . .
H00D H 0.4131 0.5087 0.4301 0.023 Uiso 1 1 calc R . .
C15 C 0.33530(6) 0.34250(14) 0.51030(10) 0.0202(3) Uani 1 1 d . . .
H00E H 0.3212 0.2471 0.5147 0.024 Uiso 1 1 calc R . .
C8 C 0.22157(6) 0.41481(15) 0.68568(9) 0.0176(2) Uani 1 1 d . . .
C7 C 0.27538(6) 0.33306(16) 0.71667(9) 0.0221(3) Uani 1 1 d . . .
H00G H 0.2899 0.2683 0.7678 0.027 Uiso 1 1 calc R . .
C6 C 0.30676(6) 0.35000(15) 0.66998(9) 0.0202(3) Uani 1 1 d . . .
H00H H 0.3431 0.2940 0.6889 0.024 Uiso 1 1 calc R . .
C14 C 0.36884(6) 0.35962(15) 0.46636(10) 0.0230(3) Uani 1 1 d . . .
H00I H 0.3770 0.2761 0.4401 0.028 Uiso 1 1 calc R . .
C17 C 0.06129(6) 0.59813(15) 0.38795(9) 0.0218(3) Uani 1 1 d . . .
H00A H 0.0356 0.6655 0.3372 0.033 Uiso 1 1 calc R . .
H00F H 0.0377 0.5090 0.3830 0.033 Uiso 1 1 calc R . .
H00J H 0.0978 0.5706 0.3851 0.033 Uiso 1 1 calc R . .
C16 C 0.01770(6) 0.72453(15) 0.51375(10) 0.0227(3) Uani 1 1 d . . .
H00K H 0.0315 0.7653 0.5749 0.034 Uiso 1 1 calc R . .
H00L H -0.0036 0.6306 0.5067 0.034 Uiso 1 1 calc R . .
H00M H -0.0104 0.7945 0.4669 0.034 Uiso 1 1 calc R . .
C1 C 0.18677(8) 0.3281(2) 0.79295(11) 0.0375(4) Uani 1 1 d . . .
H00N H 0.2229 0.3615 0.8501 0.056 Uiso 1 1 calc R . .
H00O H 0.1917 0.2236 0.7826 0.056 Uiso 1 1 calc R . .
H00P H 0.1499 0.3401 0.7976 0.056 Uiso 1 1 calc R . .
C00M C 0.48252(13) 0.4452(3) 0.71570(19) 0.0223(5) Uani 0.50 1 d P . .


_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
Si1 C3 1.8480(13) . ?
Si1 C16 1.8669(13) . ?
Si1 C17 1.8731(14) . ?
Si1 C12 1.8804(12) 7_566 ?
Cl02 C00M 1.720(3) . ?
Cl02 C00M 1.795(3) 2_656 ?
Cl03 C00M 1.739(3) 2_656 ?
Cl03 C00M 1.739(3) . ?
N1 C2 1.3728(17) . ?
N1 C8 1.3784(16) . ?
N1 C1 1.4524(17) . ?
C10 C15 1.3966(17) . ?
C10 C11 1.3976(16) . ?
C10 C5 1.4876(16) . ?
C11 C12 1.4033(16) . ?
C12 C13 1.3997(17) . ?
C12 Si1 1.8805(12) 7_566 ?
C5 C4 1.3902(16) . ?
C5 C6 1.4132(17) . ?
C9 C4 1.4080(16) . ?
C9 C8 1.4127(17) . ?
C9 C3 1.4480(16) . ?
C3 C2 1.3798(17) . ?
C13 C14 1.3915(18) . ?
C15 C14 1.3908(18) . ?
C8 C7 1.3938(18) . ?
C7 C6 1.3826(18) . ?
C00M C00M 1.041(6) 2_656 ?
C00M Cl02 1.794(3) 2_656 ?

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
C3 Si1 C16 108.93(6) . . ?
C3 Si1 C17 108.27(6) . . ?
C16 Si1 C17 110.35(7) . . ?
C3 Si1 C12 111.96(5) . 7_566 ?
C16 Si1 C12 108.58(6) . 7_566 ?
C17 Si1 C12 108.76(6) . 7_566 ?
C00M Cl02 C00M 34.36(17) . 2_656 ?
C00M Cl03 C00M 34.81(19) 2_656 . ?
C2 N1 C8 108.40(10) . . ?
C2 N1 C1 126.66(11) . . ?
C8 N1 C1 124.89(12) . . ?
C15 C10 C11 118.43(11) . . ?
C15 C10 C5 120.86(11) . . ?
C11 C10 C5 120.71(11) . . ?
C10 C11 C12 122.54(11) . . ?
C13 C12 C11 117.26(11) . . ?
C13 C12 Si1 120.94(9) . 7_566 ?
C11 C12 Si1 121.69(9) . 7_566 ?
C4 C5 C6 119.90(11) . . ?
C4 C5 C10 120.10(11) . . ?
C6 C5 C10 120.00(11) . . ?
C4 C9 C8 118.48(11) . . ?
C4 C9 C3 133.75(11) . . ?
C8 C9 C3 107.77(10) . . ?
C2 C3 C9 104.79(11) . . ?
C2 C3 Si1 126.16(9) . . ?
C9 C3 Si1 128.89(9) . . ?
C5 C4 C9 119.66(11) . . ?
N1 C2 C3 111.38(11) . . ?
C14 C13 C12 121.18(11) . . ?
C14 C15 C10 120.28(12) . . ?
N1 C8 C7 129.62(12) . . ?
N1 C8 C9 107.65(11) . . ?
C7 C8 C9 122.67(11) . . ?
C6 C7 C8 117.32(12) . . ?
C7 C6 C5 121.92(12) . . ?
C15 C14 C13 120.29(12) . . ?
C00M C00M Cl02 76.8(3) 2_656 . ?
C00M C00M Cl03 72.59(9) 2_656 . ?
Cl02 C00M Cl03 113.62(15) . . ?
C00M C00M Cl02 68.9(3) 2_656 2_656 ?
Cl02 C00M Cl02 111.23(16) . 2_656 ?
Cl03 C00M Cl02 109.99(15) . 2_656 ?

_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        28.25
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.467
_refine_diff_density_min         -0.360
_refine_diff_density_rms         0.052
####################################################################### 
# 
# 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 2167809'
loop_
_audit_author_name
_audit_author_address
'sutaozhang '
;College of Chemistry, Jilin University
China
;
_audit_update_record             
;
2022-04-21 deposited with the CCDC.	2022-12-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H36 N2 Si2'
_chemical_formula_sum            'C34 H36 N2 Si2'
_chemical_formula_weight         528.83

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.4884(6)
_cell_length_b                   11.5493(9)
_cell_length_c                   15.4564(12)
_cell_angle_alpha                89.802(2)
_cell_angle_beta                 82.731(2)
_cell_angle_gamma                77.808(2)
_cell_volume                     1468.77(19)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    2557
_cell_measurement_theta_min      2.48
_cell_measurement_theta_max      27.91

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_exptl_crystal_density_meas      1.196
_exptl_crystal_density_diffrn    1.196
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             564
_exptl_absorpt_coefficient_mu    0.146
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  MoKα
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            10951
_diffrn_reflns_av_R_equivalents  0.0258
_diffrn_reflns_av_sigmaI/netI    0.0635
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.33
_diffrn_reflns_theta_max         28.37
_reflns_number_total             7301
_reflns_number_gt                5096
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SMART'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    SHELXP-97
_computing_publication_material  SHELXP-97

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0454P)²+0.7282P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         7301
_refine_ls_number_parameters     349
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0484
_refine_ls_wR_factor_ref         0.1178
_refine_ls_wR_factor_gt          0.1039
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_restrained_S_all      1.010
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 1.1390(3) 0.5545(2) 0.76764(14) 0.0294(5) Uani 1 1 d . . .
H1A H 1.1177 0.4867 0.7392 0.044 Uiso 1 1 calc R . .
H1B H 1.2286 0.5298 0.8005 0.044 Uiso 1 1 calc R . .
H1C H 1.1655 0.6099 0.7247 0.044 Uiso 1 1 calc R . .
C2 C 0.9858(2) 0.62453(17) 0.91469(13) 0.0192(4) Uani 1 1 d . . .
H2 H 1.0703 0.5950 0.9470 0.023 Uiso 1 1 calc R . .
C3 C 0.8354(2) 0.68773(16) 0.95035(12) 0.0157(4) Uani 1 1 d . . .
C4 C 0.5865(2) 0.77277(16) 0.86734(12) 0.0160(4) Uani 1 1 d . . .
H4 H 0.5151 0.8036 0.9165 0.019 Uiso 1 1 calc R . .
C5 C 0.5353(2) 0.78592(16) 0.78501(12) 0.0164(4) Uani 1 1 d . . .
C6 C 0.6447(2) 0.73883(17) 0.71102(13) 0.0195(4) Uani 1 1 d . . .
H6 H 0.6100 0.7487 0.6562 0.023 Uiso 1 1 calc R . .
C7 C 0.8012(2) 0.67864(17) 0.71709(12) 0.0195(4) Uani 1 1 d . . .
H7 H 0.8720 0.6479 0.6677 0.023 Uiso 1 1 calc R . .
C8 C 0.7448(2) 0.71334(16) 0.87630(12) 0.0150(4) Uani 1 1 d . . .
C9 C 0.8496(2) 0.66554(16) 0.80031(12) 0.0167(4) Uani 1 1 d . . .
C10 C -0.2528(3) 1.0442(2) 0.80703(16) 0.0323(5) Uani 1 1 d . . .
H10A H -0.2704 0.9648 0.8114 0.048 Uiso 1 1 calc R . .
H10B H -0.3368 1.0922 0.7785 0.048 Uiso 1 1 calc R . .
H10C H -0.2550 1.0765 0.8644 0.048 Uiso 1 1 calc R . .
C11 C -0.0648(2) 1.11149(17) 0.68714(13) 0.0203(4) Uani 1 1 d . . .
H11 H -0.1440 1.1676 0.6648 0.024 Uiso 1 1 calc R . .
C12 C 0.0970(2) 1.08822(16) 0.65402(12) 0.0171(4) Uani 1 1 d . . .
C13 C 0.3334(2) 0.93467(16) 0.71318(12) 0.0156(4) Uani 1 1 d . . .
H13 H 0.4175 0.9501 0.6732 0.019 Uiso 1 1 calc R . .
C14 C 0.3659(2) 0.84985(16) 0.77667(12) 0.0159(4) Uani 1 1 d . . .
C15 C 0.2374(2) 0.82598(17) 0.83602(13) 0.0196(4) Uani 1 1 d . . .
H15 H 0.2606 0.7683 0.8774 0.024 Uiso 1 1 calc R . .
C16 C 0.0784(2) 0.88481(17) 0.83511(13) 0.0195(4) Uani 1 1 d . . .
H16 H -0.0054 0.8680 0.8746 0.023 Uiso 1 1 calc R . .
C17 C 0.1730(2) 0.99672(16) 0.70993(12) 0.0159(4) Uani 1 1 d . . .
C18 C 0.0493(2) 0.97093(17) 0.77189(13) 0.0175(4) Uani 1 1 d . . .
C19 C 0.7021(3) 0.91259(18) 1.05940(14) 0.0271(5) Uani 1 1 d . . .
H19A H 0.7842 0.9491 1.0292 0.041 Uiso 1 1 calc R . .
H19B H 0.6730 0.9450 1.1177 0.041 Uiso 1 1 calc R . .
H19C H 0.6080 0.9275 1.0293 0.041 Uiso 1 1 calc R . .
C20 C 0.9686(3) 0.7204(2) 1.11939(14) 0.0267(5) Uani 1 1 d . . .
H20A H 1.0114 0.6365 1.1198 0.040 Uiso 1 1 calc R . .
H20B H 0.9416 0.7510 1.1783 0.040 Uiso 1 1 calc R . .
H20C H 1.0487 0.7584 1.0889 0.040 Uiso 1 1 calc R . .
C21 C 0.6205(2) 0.68359(16) 1.12668(13) 0.0179(4) Uani 1 1 d . . .
C22 C 0.5809(2) 0.70648(17) 1.21664(13) 0.0207(4) Uani 1 1 d . . .
H22 H 0.6339 0.7561 1.2438 0.025 Uiso 1 1 calc R . .
C23 C 0.4647(3) 0.65713(18) 1.26636(14) 0.0242(5) Uani 1 1 d . . .
H23 H 0.4425 0.6724 1.3262 0.029 Uiso 1 1 calc R . .
C24 C 0.3824(3) 0.5855(2) 1.22681(15) 0.0301(5) Uani 1 1 d . . .
H24 H 0.3047 0.5522 1.2599 0.036 Uiso 1 1 calc R . .
C25 C 0.4159(3) 0.5634(2) 1.13772(16) 0.0362(6) Uani 1 1 d . . .
H25 H 0.3592 0.5164 1.1106 0.043 Uiso 1 1 calc R . .
C26 C 0.5341(3) 0.6113(2) 1.08878(15) 0.0288(5) Uani 1 1 d . . .
H26 H 0.5564 0.5949 1.0291 0.035 Uiso 1 1 calc R . .
C27 C 0.3331(3) 1.23815(19) 0.56702(14) 0.0250(5) Uani 1 1 d . . .
H27A H 0.2856 1.3054 0.6050 0.037 Uiso 1 1 calc R . .
H27B H 0.3749 1.2647 0.5116 0.037 Uiso 1 1 calc R . .
H27C H 0.4200 1.1885 0.5925 0.037 Uiso 1 1 calc R . .
C28 C 0.2644(3) 1.03195(19) 0.46815(14) 0.0253(5) Uani 1 1 d . . .
H28A H 0.3543 0.9791 0.4890 0.038 Uiso 1 1 calc R . .
H28B H 0.3016 1.0661 0.4147 0.038 Uiso 1 1 calc R . .
H28C H 0.1832 0.9888 0.4579 0.038 Uiso 1 1 calc R . .
C29 C -0.0058(2) 1.25312(17) 0.51340(13) 0.0194(4) Uani 1 1 d . . .
C30 C -0.0901(3) 1.21573(18) 0.45028(13) 0.0231(4) Uani 1 1 d . . .
H30 H -0.0508 1.1415 0.4234 0.028 Uiso 1 1 calc R . .
C31 C -0.2305(3) 1.2865(2) 0.42695(15) 0.0275(5) Uani 1 1 d . . .
H31 H -0.2853 1.2590 0.3856 0.033 Uiso 1 1 calc R . .
C32 C -0.2896(3) 1.3976(2) 0.46483(14) 0.0280(5) Uani 1 1 d . . .
H32 H -0.3834 1.4454 0.4485 0.034 Uiso 1 1 calc R . .
C33 C -0.2093(3) 1.4379(2) 0.52710(15) 0.0296(5) Uani 1 1 d . . .
H33 H -0.2488 1.5128 0.5529 0.036 Uiso 1 1 calc R . .
C34 C -0.0693(3) 1.36625(19) 0.55092(14) 0.0258(5) Uani 1 1 d . . .
H34 H -0.0162 1.3941 0.5929 0.031 Uiso 1 1 calc R . .
N1 N 0.9963(2) 0.61032(14) 0.82591(11) 0.0186(4) Uani 1 1 d . . .
N2 N -0.0958(2) 1.04267(15) 0.75678(11) 0.0201(4) Uani 1 1 d . . .
Si1 Si 0.78213(7) 0.74983(5) 1.06330(4) 0.01657(13) Uani 1 1 d . . .
Si2 Si 0.17518(7) 1.15227(5) 0.55146(4) 0.01816(13) Uani 1 1 d . . .


_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
C1 N1 1.447(2) . ?
C2 N1 1.372(2) . ?
C2 C3 1.378(3) . ?
C3 C8 1.453(3) . ?
C3 Si1 1.854(2) . ?
C4 C5 1.394(3) . ?
C4 C8 1.398(3) . ?
C5 C6 1.410(3) . ?
C5 C14 1.492(3) . ?
C6 C7 1.378(3) . ?
C7 C9 1.397(3) . ?
C8 C9 1.417(3) . ?
C9 N1 1.379(2) . ?
C10 N2 1.451(3) . ?
C11 N2 1.368(3) . ?
C11 C12 1.374(3) . ?
C12 C17 1.458(3) . ?
C12 Si2 1.853(2) . ?
C13 C14 1.395(3) . ?
C13 C17 1.405(3) . ?
C14 C15 1.407(3) . ?
C15 C16 1.379(3) . ?
C16 C18 1.399(3) . ?
C17 C18 1.408(3) . ?
C18 N2 1.378(2) . ?
C19 Si1 1.862(2) . ?
C20 Si1 1.869(2) . ?
C21 C26 1.396(3) . ?
C21 C22 1.401(3) . ?
C21 Si1 1.877(2) . ?
C22 C23 1.390(3) . ?
C23 C24 1.379(3) . ?
C24 C25 1.384(3) . ?
C25 C26 1.388(3) . ?
C27 Si2 1.866(2) . ?
C28 Si2 1.867(2) . ?
C29 C30 1.400(3) . ?
C29 C34 1.401(3) . ?
C29 Si2 1.879(2) . ?
C30 C31 1.384(3) . ?
C31 C32 1.378(3) . ?
C32 C33 1.383(3) . ?
C33 C34 1.388(3) . ?

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
N1 C2 C3 111.97(17) . . ?
C2 C3 C8 104.38(16) . . ?
C2 C3 Si1 125.73(15) . . ?
C8 C3 Si1 128.80(14) . . ?
C5 C4 C8 120.19(17) . . ?
C4 C5 C6 119.38(17) . . ?
C4 C5 C14 119.45(17) . . ?
C6 C5 C14 121.18(17) . . ?
C7 C6 C5 122.26(18) . . ?
C6 C7 C9 117.42(17) . . ?
C4 C8 C9 118.48(17) . . ?
C4 C8 C3 133.73(17) . . ?
C9 C8 C3 107.78(16) . . ?
N1 C9 C7 130.13(18) . . ?
N1 C9 C8 107.61(16) . . ?
C7 C9 C8 122.25(17) . . ?
N2 C11 C12 112.23(17) . . ?
C11 C12 C17 104.25(17) . . ?
C11 C12 Si2 122.89(15) . . ?
C17 C12 Si2 132.36(15) . . ?
C14 C13 C17 119.73(18) . . ?
C13 C14 C15 119.66(17) . . ?
C13 C14 C5 121.46(18) . . ?
C15 C14 C5 118.86(17) . . ?
C16 C15 C14 122.47(18) . . ?
C15 C16 C18 116.78(18) . . ?
C18 C17 C13 118.30(17) . . ?
C18 C17 C12 107.53(17) . . ?
C13 C17 C12 134.17(18) . . ?
N2 C18 C16 128.91(18) . . ?
N2 C18 C17 108.05(16) . . ?
C16 C18 C17 123.04(18) . . ?
C26 C21 C22 116.69(19) . . ?
C26 C21 Si1 123.35(16) . . ?
C22 C21 Si1 119.96(15) . . ?
C23 C22 C21 121.8(2) . . ?
C24 C23 C22 119.9(2) . . ?
C23 C24 C25 119.7(2) . . ?
C24 C25 C26 120.0(2) . . ?
C25 C26 C21 121.8(2) . . ?
C30 C29 C34 116.78(18) . . ?
C30 C29 Si2 121.49(15) . . ?
C34 C29 Si2 121.59(15) . . ?
C31 C30 C29 121.6(2) . . ?
C32 C31 C30 120.3(2) . . ?
C31 C32 C33 119.9(2) . . ?
C32 C33 C34 119.7(2) . . ?
C33 C34 C29 121.8(2) . . ?
C2 N1 C9 108.24(16) . . ?
C2 N1 C1 126.40(17) . . ?
C9 N1 C1 125.23(17) . . ?
C11 N2 C18 107.93(16) . . ?
C11 N2 C10 126.71(17) . . ?
C18 N2 C10 125.35(17) . . ?
C3 Si1 C19 109.14(9) . . ?
C3 Si1 C20 108.98(9) . . ?
C19 Si1 C20 109.65(10) . . ?
C3 Si1 C21 111.67(9) . . ?
C19 Si1 C21 107.78(10) . . ?
C20 Si1 C21 109.60(9) . . ?
C12 Si2 C27 112.73(9) . . ?
C12 Si2 C28 110.01(9) . . ?
C27 Si2 C28 108.55(10) . . ?
C12 Si2 C29 105.82(9) . . ?
C27 Si2 C29 109.76(9) . . ?
C28 Si2 C29 109.93(9) . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        28.37
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         0.353
_refine_diff_density_min         -0.363
_refine_diff_density_rms         0.058
