# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_d1501
_database_code_depnum_ccdc_archive 'CCDC 1522758'
_audit_update_record             
;
2016-12-14 deposited with the CCDC.
2017-04-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        'bis(tributylsilane)-silicon phthalocyanine'
_chemical_name_common            (3BS)2-SiPc
_chemical_melting_point          ?
_chemical_formula_moiety         'C56 H70 N8 O2 Si3'
_chemical_formula_sum            'C56 H70 N8 O2 Si3'
_chemical_formula_weight         971.47

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'
O O 0.0106 0.0060 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.4051(6)
_cell_length_b                   11.1819(7)
_cell_length_c                   11.9261(7)
_cell_angle_alpha                97.440(2)
_cell_angle_beta                 102.813(2)
_cell_angle_gamma                103.840(2)
_cell_volume                     1289.10(13)
_cell_formula_units_Z            1
_cell_measurement_temperature    147(2)
_cell_measurement_reflns_used    9869
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      27.53

_exptl_crystal_description       needle
_exptl_crystal_colour            blue-purple
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.251
_exptl_crystal_F_000             520
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    0.143
_shelx_estimated_absorpt_T_min   0.952
_shelx_estimated_absorpt_T_max   0.972
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7186
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      147(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'sealed tube with Bruker Triumph monochromator'
_diffrn_measurement_device_type  'Bruker Kappa APEX-DUO CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            32438
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_av_R_equivalents  0.0262
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         1.785
_diffrn_reflns_theta_max         27.569
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             5967
_reflns_number_gt                4950
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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. 
;

_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_cell_refinement       APEX2
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_structure_solution    'SHELXT (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0391P)²+0.6192P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         5967
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0437
_refine_ls_R_factor_gt           0.0323
_refine_ls_wR_factor_ref         0.0887
_refine_ls_wR_factor_gt          0.0803
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_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_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
Si1 Si 0.5000 0.5000 0.5000 0.01313(10) Uani 1 2 d S . P . .
Si2 Si 0.82058(3) 0.64867(3) 0.61507(3) 0.01530(9) Uani 1 1 d . . . . .
O1 O 0.65418(8) 0.59503(8) 0.57795(7) 0.01645(18) Uani 1 1 d . . . . .
N1 N 0.53607(11) 0.60866(10) 0.25502(9) 0.0175(2) Uani 1 1 d . . . . .
N2 N 0.45915(10) 0.63778(9) 0.43178(9) 0.0148(2) Uani 1 1 d . . . . .
N3 N 0.36302(11) 0.73291(10) 0.57600(9) 0.0182(2) Uani 1 1 d . . . . .
N4 N 0.42735(10) 0.54856(9) 0.62831(9) 0.0150(2) Uani 1 1 d . . . . .
C1 C 0.48400(12) 0.66849(11) 0.32894(11) 0.0159(2) Uani 1 1 d . . . . .
C2 C 0.44447(12) 0.78179(12) 0.30952(11) 0.0174(2) Uani 1 1 d . . . . .
C3 C 0.45526(13) 0.85299(13) 0.22262(12) 0.0215(3) Uani 1 1 d . . . . .
H3A H 0.4907 0.8286 0.1591 0.026 Uiso 1 1 calc R U . . .
C4 C 0.41191(15) 0.96092(13) 0.23297(12) 0.0258(3) Uani 1 1 d . . . . .
H4A H 0.4190 1.0123 0.1759 0.031 Uiso 1 1 calc R U . . .
C5 C 0.35779(15) 0.99597(13) 0.32588(13) 0.0264(3) Uani 1 1 d . . . . .
H5A H 0.3282 1.0701 0.3299 0.032 Uiso 1 1 calc R U . . .
C6 C 0.34667(14) 0.92457(12) 0.41195(12) 0.0231(3) Uani 1 1 d . . . . .
H6A H 0.3096 0.9479 0.4747 0.028 Uiso 1 1 calc R U . . .
C7 C 0.39223(13) 0.81709(12) 0.40241(11) 0.0179(2) Uani 1 1 d . . . . .
C8 C 0.40251(12) 0.72610(11) 0.47801(11) 0.0161(2) Uani 1 1 d . . . . .
C9 C 0.37597(12) 0.65032(11) 0.64477(11) 0.0162(2) Uani 1 1 d . . . . .
C10 C 0.33704(13) 0.65846(12) 0.75466(11) 0.0180(2) Uani 1 1 d . . . . .
C11 C 0.28018(14) 0.74225(13) 0.80990(12) 0.0235(3) Uani 1 1 d . . . . .
H11A H 0.2590 0.8097 0.7758 0.028 Uiso 1 1 calc R U . . .
C12 C 0.25576(15) 0.72299(14) 0.91673(12) 0.0273(3) Uani 1 1 d . . . . .
H12A H 0.2171 0.7785 0.9567 0.033 Uiso 1 1 calc R U . . .
C13 C 0.28684(15) 0.62340(14) 0.96700(12) 0.0256(3) Uani 1 1 d . . . . .
H13A H 0.2687 0.6128 1.0403 0.031 Uiso 1 1 calc R U . . .
C14 C 0.34349(13) 0.54006(13) 0.91199(11) 0.0219(3) Uani 1 1 d . . . . .
H14A H 0.3649 0.4727 0.9461 0.026 Uiso 1 1 calc R U . . .
C15 C 0.36773(12) 0.55926(12) 0.80450(11) 0.0178(2) Uani 1 1 d . . . . .
C16 C 0.42440(12) 0.49202(12) 0.72417(10) 0.0160(2) Uani 1 1 d . . . . .
C17 C 0.86865(13) 0.77206(12) 0.75224(11) 0.0204(3) Uani 1 1 d . . . . .
H17A H 0.9612 0.7748 0.7987 0.025 Uiso 1 1 calc R U . . .
H17B H 0.8741 0.8548 0.7294 0.025 Uiso 1 1 calc R U . . .
C18 C 0.76981(14) 0.75208(13) 0.83054(12) 0.0240(3) Uani 1 1 d . . . . .
H18A H 0.6754 0.7397 0.7821 0.029 Uiso 1 1 calc R U . . .
H18B H 0.7725 0.6743 0.8612 0.029 Uiso 1 1 calc R U . . .
C19 C 0.80175(15) 0.86036(14) 0.93376(12) 0.0268(3) Uani 1 1 d . . . . .
H19A H 0.8941 0.8700 0.9849 0.032 Uiso 1 1 calc R U . . .
H19B H 0.8034 0.9391 0.9037 0.032 Uiso 1 1 calc R U . . .
C20 C 0.69746(19) 0.84054(17) 1.00625(14) 0.0402(4) Uani 1 1 d . . . . .
H20A H 0.7176 0.9157 1.0666 0.060 Uiso 1 1 calc R U . . .
H20B H 0.7028 0.7682 1.0436 0.060 Uiso 1 1 calc R U . . .
H20C H 0.6050 0.8250 0.9551 0.060 Uiso 1 1 calc R U . . .
C21 C 0.87760(13) 0.71665(12) 0.49299(11) 0.0195(3) Uani 1 1 d . . . . .
H21A H 0.9791 0.7396 0.5130 0.023 Uiso 1 1 calc R U . . .
H21B H 0.8432 0.6504 0.4214 0.023 Uiso 1 1 calc R U . . .
C22 C 0.83182(13) 0.83209(12) 0.46408(11) 0.0199(3) Uani 1 1 d . . . . .
H22A H 0.7313 0.8132 0.4524 0.024 Uiso 1 1 calc R U . . .
H22B H 0.8757 0.9026 0.5317 0.024 Uiso 1 1 calc R U . . .
C23 C 0.86755(15) 0.87302(13) 0.35483(12) 0.0246(3) Uani 1 1 d . . . . .
H23A H 0.9672 0.8864 0.3641 0.029 Uiso 1 1 calc R U . . .
H23B H 0.8184 0.8048 0.2861 0.029 Uiso 1 1 calc R U . . .
C24 C 0.83036(15) 0.99305(13) 0.33144(13) 0.0275(3) Uani 1 1 d . . . . .
H24A H 0.8608 1.0177 0.2636 0.041 Uiso 1 1 calc R U . . .
H24B H 0.8757 1.0602 0.4003 0.041 Uiso 1 1 calc R U . . .
H24C H 0.7307 0.9783 0.3153 0.041 Uiso 1 1 calc R U . . .
C25 C 0.90797(13) 0.52302(12) 0.64180(11) 0.0197(3) Uani 1 1 d . . . . .
H25A H 0.8695 0.4540 0.5724 0.024 Uiso 1 1 calc R U . . .
H25B H 1.0062 0.5580 0.6463 0.024 Uiso 1 1 calc R U . . .
C26 C 0.89906(13) 0.46589(12) 0.75106(11) 0.0205(3) Uani 1 1 d . . . . .
H26A H 0.9419 0.5327 0.8219 0.025 Uiso 1 1 calc R U . . .
H26B H 0.8014 0.4316 0.7490 0.025 Uiso 1 1 calc R U . . .
C27 C 0.97014(15) 0.36167(14) 0.75932(12) 0.0249(3) Uani 1 1 d . . . . .
H27A H 0.9293 0.2969 0.6869 0.030 Uiso 1 1 calc R U . . .
H27B H 1.0682 0.3971 0.7635 0.030 Uiso 1 1 calc R U . . .
C28 C 0.95999(18) 0.29934(17) 0.86432(15) 0.0387(4) Uani 1 1 d . . . . .
H28A H 1.0088 0.2345 0.8645 0.058 Uiso 1 1 calc R U . . .
H28B H 0.8633 0.2609 0.8594 0.058 Uiso 1 1 calc R U . . .
H28C H 1.0013 0.3625 0.9367 0.058 Uiso 1 1 calc R U . . .


_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 O1 1.6835(8) . ?
Si1 O1 1.6835(8) 2_666 ?
Si1 N2 1.9237(10) . ?
Si1 N2 1.9238(10) 2_666 ?
Si1 N4 1.9241(10) . ?
Si1 N4 1.9241(10) 2_666 ?
Si2 O1 1.6272(9) . ?
Si2 C25 1.8711(13) . ?
Si2 C21 1.8717(13) . ?
Si2 C17 1.8848(13) . ?
N1 C16 1.3216(16) 2_666 ?
N1 C1 1.3232(16) . ?
N2 C1 1.3771(15) . ?
N2 C8 1.3813(15) . ?
N3 C8 1.3212(16) . ?
N3 C9 1.3229(16) . ?
N4 C9 1.3780(15) . ?
N4 C16 1.3788(15) . ?
C1 C2 1.4529(17) . ?
C2 C7 1.3911(18) . ?
C2 C3 1.3939(17) . ?
C3 C4 1.3862(19) . ?
C3 H3A 0.9500 . ?
C4 C5 1.403(2) . ?
C4 H4A 0.9500 . ?
C5 C6 1.3875(19) . ?
C5 H5A 0.9500 . ?
C6 C7 1.3940(18) . ?
C6 H6A 0.9500 . ?
C7 C8 1.4513(17) . ?
C9 C10 1.4534(17) . ?
C10 C11 1.3929(18) . ?
C10 C15 1.3934(18) . ?
C11 C12 1.3866(19) . ?
C11 H11A 0.9500 . ?
C12 C13 1.401(2) . ?
C12 H12A 0.9500 . ?
C13 C14 1.3864(19) . ?
C13 H13A 0.9500 . ?
C14 C15 1.3935(17) . ?
C14 H14A 0.9500 . ?
C15 C16 1.4515(17) . ?
C16 N1 1.3216(16) 2_666 ?
C17 C18 1.5329(18) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.5270(18) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.525(2) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.5326(17) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.5274(18) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.5254(19) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.5348(17) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.5247(18) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.5213(19) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 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
O1 Si1 O1 180.0 . 2_666 ?
O1 Si1 N2 89.66(4) . . ?
O1 Si1 N2 90.34(4) 2_666 . ?
O1 Si1 N2 90.34(4) . 2_666 ?
O1 Si1 N2 89.66(4) 2_666 2_666 ?
N2 Si1 N2 180.0 . 2_666 ?
O1 Si1 N4 88.12(4) . . ?
O1 Si1 N4 91.88(4) 2_666 . ?
N2 Si1 N4 89.90(4) . . ?
N2 Si1 N4 90.10(4) 2_666 . ?
O1 Si1 N4 91.87(4) . 2_666 ?
O1 Si1 N4 88.12(4) 2_666 2_666 ?
N2 Si1 N4 90.10(4) . 2_666 ?
N2 Si1 N4 89.90(4) 2_666 2_666 ?
N4 Si1 N4 180.00(6) . 2_666 ?
O1 Si2 C25 112.57(5) . . ?
O1 Si2 C21 109.35(5) . . ?
C25 Si2 C21 106.65(6) . . ?
O1 Si2 C17 106.89(5) . . ?
C25 Si2 C17 110.22(6) . . ?
C21 Si2 C17 111.23(6) . . ?
Si2 O1 Si1 156.31(6) . . ?
C16 N1 C1 121.45(11) 2_666 . ?
C1 N2 C8 107.18(10) . . ?
C1 N2 Si1 126.30(8) . . ?
C8 N2 Si1 126.50(8) . . ?
C8 N3 C9 121.41(11) . . ?
C9 N4 C16 107.35(10) . . ?
C9 N4 Si1 126.38(8) . . ?
C16 N4 Si1 126.17(8) . . ?
N1 C1 N2 127.90(11) . . ?
N1 C1 C2 122.19(11) . . ?
N2 C1 C2 109.90(10) . . ?
C7 C2 C3 121.59(12) . . ?
C7 C2 C1 106.49(11) . . ?
C3 C2 C1 131.88(12) . . ?
C4 C3 C2 117.04(12) . . ?
C4 C3 H3A 121.5 . . ?
C2 C3 H3A 121.5 . . ?
C3 C4 C5 121.48(12) . . ?
C3 C4 H4A 119.3 . . ?
C5 C4 H4A 119.3 . . ?
C6 C5 C4 121.32(13) . . ?
C6 C5 H5A 119.3 . . ?
C4 C5 H5A 119.3 . . ?
C5 C6 C7 117.14(13) . . ?
C5 C6 H6A 121.4 . . ?
C7 C6 H6A 121.4 . . ?
C2 C7 C6 121.43(12) . . ?
C2 C7 C8 106.66(11) . . ?
C6 C7 C8 131.87(12) . . ?
N3 C8 N2 127.76(11) . . ?
N3 C8 C7 122.48(11) . . ?
N2 C8 C7 109.75(10) . . ?
N3 C9 N4 128.01(11) . . ?
N3 C9 C10 122.23(11) . . ?
N4 C9 C10 109.75(10) . . ?
C11 C10 C15 121.41(12) . . ?
C11 C10 C9 132.07(12) . . ?
C15 C10 C9 106.52(11) . . ?
C12 C11 C10 117.18(12) . . ?
C12 C11 H11A 121.4 . . ?
C10 C11 H11A 121.4 . . ?
C11 C12 C13 121.44(12) . . ?
C11 C12 H12A 119.3 . . ?
C13 C12 H12A 119.3 . . ?
C14 C13 C12 121.35(12) . . ?
C14 C13 H13A 119.3 . . ?
C12 C13 H13A 119.3 . . ?
C13 C14 C15 117.21(12) . . ?
C13 C14 H14A 121.4 . . ?
C15 C14 H14A 121.4 . . ?
C10 C15 C14 121.41(12) . . ?
C10 C15 C16 106.58(11) . . ?
C14 C15 C16 132.00(12) . . ?
N1 C16 N4 127.97(11) 2_666 . ?
N1 C16 C15 122.24(11) 2_666 . ?
N4 C16 C15 109.78(10) . . ?
C18 C17 Si2 115.01(9) . . ?
C18 C17 H17A 108.5 . . ?
Si2 C17 H17A 108.5 . . ?
C18 C17 H17B 108.5 . . ?
Si2 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
C19 C18 C17 114.05(12) . . ?
C19 C18 H18A 108.7 . . ?
C17 C18 H18A 108.7 . . ?
C19 C18 H18B 108.7 . . ?
C17 C18 H18B 108.7 . . ?
H18A C18 H18B 107.6 . . ?
C20 C19 C18 112.73(13) . . ?
C20 C19 H19A 109.0 . . ?
C18 C19 H19A 109.0 . . ?
C20 C19 H19B 109.0 . . ?
C18 C19 H19B 109.0 . . ?
H19A C19 H19B 107.8 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 Si2 116.35(9) . . ?
C22 C21 H21A 108.2 . . ?
Si2 C21 H21A 108.2 . . ?
C22 C21 H21B 108.2 . . ?
Si2 C21 H21B 108.2 . . ?
H21A C21 H21B 107.4 . . ?
C23 C22 C21 113.39(11) . . ?
C23 C22 H22A 108.9 . . ?
C21 C22 H22A 108.9 . . ?
C23 C22 H22B 108.9 . . ?
C21 C22 H22B 108.9 . . ?
H22A C22 H22B 107.7 . . ?
C24 C23 C22 113.02(12) . . ?
C24 C23 H23A 109.0 . . ?
C22 C23 H23A 109.0 . . ?
C24 C23 H23B 109.0 . . ?
C22 C23 H23B 109.0 . . ?
H23A C23 H23B 107.8 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 Si2 117.89(9) . . ?
C26 C25 H25A 107.8 . . ?
Si2 C25 H25A 107.8 . . ?
C26 C25 H25B 107.8 . . ?
Si2 C25 H25B 107.8 . . ?
H25A C25 H25B 107.2 . . ?
C27 C26 C25 112.21(11) . . ?
C27 C26 H26A 109.2 . . ?
C25 C26 H26A 109.2 . . ?
C27 C26 H26B 109.2 . . ?
C25 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C28 C27 C26 114.07(12) . . ?
C28 C27 H27A 108.7 . . ?
C26 C27 H27A 108.7 . . ?
C28 C27 H27B 108.7 . . ?
C26 C27 H27B 108.7 . . ?
H27A C27 H27B 107.6 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 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
C25 Si2 O1 Si1 -52.44(15) . . . . ?
C21 Si2 O1 Si1 65.90(15) . . . . ?
C17 Si2 O1 Si1 -173.59(14) . . . . ?
N2 Si1 O1 Si2 -110.35(14) . . . . ?
N2 Si1 O1 Si2 69.65(14) 2_666 . . . ?
N4 Si1 O1 Si2 159.74(14) . . . . ?
N4 Si1 O1 Si2 -20.26(14) 2_666 . . . ?
C16 N1 C1 N2 -2.0(2) 2_666 . . . ?
C16 N1 C1 C2 177.80(11) 2_666 . . . ?
C8 N2 C1 N1 -179.08(12) . . . . ?
Si1 N2 C1 N1 2.31(18) . . . . ?
C8 N2 C1 C2 1.14(13) . . . . ?
Si1 N2 C1 C2 -177.47(8) . . . . ?
N1 C1 C2 C7 178.95(11) . . . . ?
N2 C1 C2 C7 -1.26(14) . . . . ?
N1 C1 C2 C3 -3.3(2) . . . . ?
N2 C1 C2 C3 176.48(13) . . . . ?
C7 C2 C3 C4 0.17(19) . . . . ?
C1 C2 C3 C4 -177.29(13) . . . . ?
C2 C3 C4 C5 -0.9(2) . . . . ?
C3 C4 C5 C6 0.6(2) . . . . ?
C4 C5 C6 C7 0.3(2) . . . . ?
C3 C2 C7 C6 0.82(19) . . . . ?
C1 C2 C7 C6 178.84(12) . . . . ?
C3 C2 C7 C8 -177.18(11) . . . . ?
C1 C2 C7 C8 0.84(13) . . . . ?
C5 C6 C7 C2 -1.1(2) . . . . ?
C5 C6 C7 C8 176.38(13) . . . . ?
C9 N3 C8 N2 0.6(2) . . . . ?
C9 N3 C8 C7 -178.60(11) . . . . ?
C1 N2 C8 N3 -179.90(12) . . . . ?
Si1 N2 C8 N3 -1.29(18) . . . . ?
C1 N2 C8 C7 -0.60(13) . . . . ?
Si1 N2 C8 C7 178.00(8) . . . . ?
C2 C7 C8 N3 179.16(11) . . . . ?
C6 C7 C8 N3 1.5(2) . . . . ?
C2 C7 C8 N2 -0.18(14) . . . . ?
C6 C7 C8 N2 -177.89(13) . . . . ?
C8 N3 C9 N4 -0.8(2) . . . . ?
C8 N3 C9 C10 178.07(12) . . . . ?
C16 N4 C9 N3 178.28(12) . . . . ?
Si1 N4 C9 N3 1.66(18) . . . . ?
C16 N4 C9 C10 -0.72(13) . . . . ?
Si1 N4 C9 C10 -177.34(8) . . . . ?
N3 C9 C10 C11 1.4(2) . . . . ?
N4 C9 C10 C11 -179.50(13) . . . . ?
N3 C9 C10 C15 -178.51(11) . . . . ?
N4 C9 C10 C15 0.56(14) . . . . ?
C15 C10 C11 C12 0.2(2) . . . . ?
C9 C10 C11 C12 -179.75(13) . . . . ?
C10 C11 C12 C13 -0.1(2) . . . . ?
C11 C12 C13 C14 0.1(2) . . . . ?
C12 C13 C14 C15 -0.2(2) . . . . ?
C11 C10 C15 C14 -0.3(2) . . . . ?
C9 C10 C15 C14 179.61(12) . . . . ?
C11 C10 C15 C16 179.87(12) . . . . ?
C9 C10 C15 C16 -0.18(13) . . . . ?
C13 C14 C15 C10 0.3(2) . . . . ?
C13 C14 C15 C16 -179.93(13) . . . . ?
C9 N4 C16 N1 179.93(12) . . . 2_666 ?
Si1 N4 C16 N1 -3.44(18) . . . 2_666 ?
C9 N4 C16 C15 0.60(13) . . . . ?
Si1 N4 C16 C15 177.24(8) . . . . ?
C10 C15 C16 N1 -179.63(11) . . . 2_666 ?
C14 C15 C16 N1 0.6(2) . . . 2_666 ?
C10 C15 C16 N4 -0.26(14) . . . . ?
C14 C15 C16 N4 179.99(13) . . . . ?
O1 Si2 C17 C18 29.38(11) . . . . ?
C25 Si2 C17 C18 -93.25(10) . . . . ?
C21 Si2 C17 C18 148.68(10) . . . . ?
Si2 C17 C18 C19 -173.52(9) . . . . ?
C17 C18 C19 C20 177.11(12) . . . . ?
O1 Si2 C21 C22 64.61(10) . . . . ?
C25 Si2 C21 C22 -173.42(9) . . . . ?
C17 Si2 C21 C22 -53.21(11) . . . . ?
Si2 C21 C22 C23 -173.23(9) . . . . ?
C21 C22 C23 C24 -176.10(11) . . . . ?
O1 Si2 C25 C26 -70.12(11) . . . . ?
C21 Si2 C25 C26 169.97(10) . . . . ?
C17 Si2 C25 C26 49.11(11) . . . . ?
Si2 C25 C26 C27 177.89(9) . . . . ?
C25 C26 C27 C28 -178.14(13) . . . . ?

_refine_diff_density_max         0.318
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.044



