# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1507656'
_audit_update_record             
;
2016-09-30 deposited with the CCDC.
2016-12-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        
'bis(6-azohexylacrylate) silicon phthalocyanine '
_chemical_name_common            (HxN3)2-SiPc
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C44 H36 N14 O4 Si'
_chemical_formula_weight         852.96

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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   10.4224(8)
_cell_length_b                   24.105(2)
_cell_length_c                   8.1188(6)
_cell_angle_alpha                90
_cell_angle_beta                 104.085(5)
_cell_angle_gamma                90
_cell_volume                     1978.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    7665
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      28.21

_exptl_crystal_description       'platelike needle'
_exptl_crystal_colour            blue
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.432
_exptl_crystal_F_000             888
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.958
_exptl_crystal_size_mid          0.194
_exptl_crystal_size_min          0.044
_exptl_absorpt_coefficient_mu    0.126
_shelx_estimated_absorpt_T_min   0.889
_shelx_estimated_absorpt_T_max   0.994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5801
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS, Bruker (2003)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            33632
_diffrn_reflns_av_unetI/netI     0.0317
_diffrn_reflns_av_R_equivalents  0.0511
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_theta_min         2.015
_diffrn_reflns_theta_max         28.280
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             4900
_reflns_number_gt                3803
_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       'APEX II, Bruker (2009)'
_computing_cell_refinement       'APEX II, Bruker (2009)'
_computing_data_reduction        'XPREP, Bruker (2009)'
_computing_structure_solution    'SHELXS-03 (Sheldrick, 2003)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Mercury (Macrae et al., 2008)'
_computing_publication_material  'CIFTAB (Sheldrick, 1997)'

_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)+(0.0557P)²+0.6264P] 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         4900
_refine_ls_number_parameters     286
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0581
_refine_ls_R_factor_gt           0.0420
_refine_ls_wR_factor_ref         0.1167
_refine_ls_wR_factor_gt          0.1043
_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 0.02310(13) Uani 1 2 d S . P . .
N1 N 0.52637(11) 0.44664(5) 0.33903(14) 0.0250(2) Uani 1 1 d . . . . .
N2 N 0.58033(11) 0.55523(5) 0.39087(14) 0.0252(2) Uani 1 1 d . . . . .
N3 N 0.44061(12) 0.36340(5) 0.44207(15) 0.0303(3) Uani 1 1 d . . . . .
C4 C 0.49769(14) 0.39060(6) 0.33898(18) 0.0270(3) Uani 1 1 d . . . . .
C5 C 0.53903(15) 0.36323(6) 0.20269(18) 0.0290(3) Uani 1 1 d . . . . .
C6 C 0.53116(16) 0.30798(6) 0.1508(2) 0.0346(3) Uani 1 1 d . . . . .
H6 H 0.4934 0.2804 0.2082 0.042 Uiso 1 1 calc R U . . .
C7 C 0.58059(18) 0.29494(7) 0.0123(2) 0.0404(4) Uani 1 1 d . . . . .
H7 H 0.5789 0.2575 -0.0247 0.048 Uiso 1 1 calc R U . . .
C8 C 0.63297(18) 0.33578(7) -0.0741(2) 0.0414(4) Uani 1 1 d . . . . .
H8 H 0.6651 0.3255 -0.1698 0.050 Uiso 1 1 calc R U . . .
C9 C 0.63944(16) 0.39091(7) -0.0241(2) 0.0350(3) Uani 1 1 d . . . . .
H9 H 0.6743 0.4187 -0.0840 0.042 Uiso 1 1 calc R U . . .
C10 C 0.59255(14) 0.40372(6) 0.11801(18) 0.0277(3) Uani 1 1 d . . . . .
C11 C 0.58657(14) 0.45537(6) 0.20680(17) 0.0265(3) Uani 1 1 d . . . . .
N12 N 0.63814(12) 0.50193(5) 0.16635(15) 0.0276(3) Uani 1 1 d . . . . .
C13 C 0.63609(14) 0.54778(6) 0.25434(17) 0.0260(3) Uani 1 1 d . . . . .
C14 C 0.69462(14) 0.59926(6) 0.21602(18) 0.0279(3) Uani 1 1 d . . . . .
C15 C 0.76109(15) 0.61327(7) 0.09204(19) 0.0331(3) Uani 1 1 d . . . . .
H15 H 0.7758 0.5869 0.0117 0.040 Uiso 1 1 calc R U . . .
C16 C 0.80459(16) 0.66771(7) 0.0921(2) 0.0375(4) Uani 1 1 d . . . . .
H16 H 0.8501 0.6788 0.0094 0.045 Uiso 1 1 calc R U . . .
C17 C 0.78349(16) 0.70661(7) 0.2099(2) 0.0374(4) Uani 1 1 d . . . . .
H17 H 0.8155 0.7434 0.2064 0.045 Uiso 1 1 calc R U . . .
C18 C 0.71680(15) 0.69262(6) 0.3318(2) 0.0333(3) Uani 1 1 d . . . . .
H18 H 0.7019 0.7190 0.4120 0.040 Uiso 1 1 calc R U . . .
C19 C 0.67252(14) 0.63825(6) 0.33204(18) 0.0284(3) Uani 1 1 d . . . . .
C20 C 0.59951(14) 0.61034(6) 0.43753(18) 0.0274(3) Uani 1 1 d . . . . .
O21 O 0.65315(10) 0.47835(4) 0.62782(12) 0.0275(2) Uani 1 1 d . . . . .
O22 O 0.76996(11) 0.55542(5) 0.71718(15) 0.0412(3) Uani 1 1 d . . . . .
C23 C 0.76211(14) 0.50540(6) 0.70492(18) 0.0297(3) Uani 1 1 d . . . . .
C24 C 0.87686(16) 0.46778(7) 0.7840(2) 0.0413(4) Uani 1 1 d . . . . .
H24A H 0.8735 0.4601 0.9027 0.050 Uiso 1 1 calc R U . . .
H24B H 0.9602 0.4880 0.7880 0.050 Uiso 1 1 calc R U . . .
C25 C 0.88190(17) 0.41269(7) 0.6946(2) 0.0434(4) Uani 1 1 d . . . . .
H25A H 0.9475 0.3883 0.7694 0.052 Uiso 1 1 calc R U . . .
H25B H 0.7944 0.3945 0.6757 0.052 Uiso 1 1 calc R U . . .
C26 C 0.91797(18) 0.41847(7) 0.5259(2) 0.0449(4) Uani 1 1 d . . . . .
H26A H 1.0049 0.4371 0.5440 0.054 Uiso 1 1 calc R U . . .
H26B H 0.8515 0.4422 0.4498 0.054 Uiso 1 1 calc R U . . .
C27 C 0.92448(18) 0.36254(8) 0.4408(2) 0.0470(4) Uani 1 1 d . . . . .
H27A H 0.9901 0.3387 0.5178 0.056 Uiso 1 1 calc R U . . .
H27B H 0.8372 0.3441 0.4219 0.056 Uiso 1 1 calc R U . . .
C28 C 0.96170(19) 0.36760(8) 0.2741(3) 0.0510(5) Uani 1 1 d . . . . .
H28A H 0.8920 0.3890 0.1948 0.061 Uiso 1 1 calc R U . . .
H28B H 1.0450 0.3890 0.2921 0.061 Uiso 1 1 calc R U . . .
N29 N 0.97982(19) 0.31392(8) 0.1933(3) 0.0670(5) Uani 1 1 d . . . . .
N30 N 0.91038(17) 0.27527(7) 0.2154(2) 0.0540(4) Uani 1 1 d . . . . .
N31 N 0.8544(2) 0.23643(8) 0.2276(3) 0.0802(6) 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
Si1 O21 1.7581(10) . ?
Si1 O21 1.7581(10) 3_666 ?
Si1 N1 1.9007(11) 3_666 ?
Si1 N1 1.9007(11) . ?
Si1 N2 1.9025(11) 3_666 ?
Si1 N2 1.9025(11) . ?
N1 C4 1.3834(17) . ?
N1 C11 1.3850(17) . ?
N2 C20 1.3826(18) . ?
N2 C13 1.3829(17) . ?
N3 C4 1.3140(18) . ?
N3 C20 1.3152(18) 3_666 ?
C4 C5 1.4413(19) . ?
C5 C10 1.387(2) . ?
C5 C6 1.393(2) . ?
C6 C7 1.382(2) . ?
C6 H6 0.9500 . ?
C7 C8 1.395(2) . ?
C7 H7 0.9500 . ?
C8 C9 1.387(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.392(2) . ?
C9 H9 0.9500 . ?
C10 C11 1.4475(19) . ?
C11 N12 1.3199(18) . ?
N12 C13 1.3190(18) . ?
C13 C14 1.4496(19) . ?
C14 C19 1.389(2) . ?
C14 C15 1.3951(19) . ?
C15 C16 1.388(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.395(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.382(2) . ?
C17 H17 0.9500 . ?
C18 C19 1.390(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.4430(19) . ?
C20 N3 1.3152(18) 3_666 ?
O21 C23 1.3270(17) . ?
O22 C23 1.2110(18) . ?
C23 C24 1.514(2) . ?
C24 C25 1.521(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.512(3) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.524(3) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.501(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 N29 1.483(3) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
N29 N30 1.219(2) . ?
N30 N31 1.120(2) . ?

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
O21 Si1 O21 180.0 . 3_666 ?
O21 Si1 N1 93.30(5) . 3_666 ?
O21 Si1 N1 86.70(5) 3_666 3_666 ?
O21 Si1 N1 86.70(5) . . ?
O21 Si1 N1 93.30(5) 3_666 . ?
N1 Si1 N1 180.00(5) 3_666 . ?
O21 Si1 N2 87.51(5) . 3_666 ?
O21 Si1 N2 92.49(5) 3_666 3_666 ?
N1 Si1 N2 89.98(5) 3_666 3_666 ?
N1 Si1 N2 90.02(5) . 3_666 ?
O21 Si1 N2 92.49(5) . . ?
O21 Si1 N2 87.51(5) 3_666 . ?
N1 Si1 N2 90.02(5) 3_666 . ?
N1 Si1 N2 89.98(5) . . ?
N2 Si1 N2 180.0 3_666 . ?
C4 N1 C11 106.66(11) . . ?
C4 N1 Si1 126.41(9) . . ?
C11 N1 Si1 126.78(9) . . ?
C20 N2 C13 106.47(11) . . ?
C20 N2 Si1 126.55(9) . . ?
C13 N2 Si1 126.93(9) . . ?
C4 N3 C20 120.56(13) . 3_666 ?
N3 C4 N1 128.19(13) . . ?
N3 C4 C5 121.79(13) . . ?
N1 C4 C5 110.01(12) . . ?
C10 C5 C6 121.60(13) . . ?
C10 C5 C4 106.85(12) . . ?
C6 C5 C4 131.54(14) . . ?
C7 C6 C5 117.22(15) . . ?
C7 C6 H6 121.4 . . ?
C5 C6 H6 121.4 . . ?
C6 C7 C8 121.16(15) . . ?
C6 C7 H7 119.4 . . ?
C8 C7 H7 119.4 . . ?
C9 C8 C7 121.76(15) . . ?
C9 C8 H8 119.1 . . ?
C7 C8 H8 119.1 . . ?
C8 C9 C10 116.96(15) . . ?
C8 C9 H9 121.5 . . ?
C10 C9 H9 121.5 . . ?
C5 C10 C9 121.28(14) . . ?
C5 C10 C11 106.68(12) . . ?
C9 C10 C11 132.03(14) . . ?
N12 C11 N1 127.64(12) . . ?
N12 C11 C10 122.54(12) . . ?
N1 C11 C10 109.75(12) . . ?
C13 N12 C11 121.10(12) . . ?
N12 C13 N2 127.47(12) . . ?
N12 C13 C14 122.55(12) . . ?
N2 C13 C14 109.98(12) . . ?
C19 C14 C15 121.26(13) . . ?
C19 C14 C13 106.61(12) . . ?
C15 C14 C13 132.13(14) . . ?
C16 C15 C14 116.62(14) . . ?
C16 C15 H15 121.7 . . ?
C14 C15 H15 121.7 . . ?
C15 C16 C17 121.97(14) . . ?
C15 C16 H16 119.0 . . ?
C17 C16 H16 119.0 . . ?
C18 C17 C16 121.19(14) . . ?
C18 C17 H17 119.4 . . ?
C16 C17 H17 119.4 . . ?
C17 C18 C19 117.12(15) . . ?
C17 C18 H18 121.4 . . ?
C19 C18 H18 121.4 . . ?
C14 C19 C18 121.82(13) . . ?
C14 C19 C20 106.59(12) . . ?
C18 C19 C20 131.58(14) . . ?
N3 C20 N2 127.95(13) 3_666 . ?
N3 C20 C19 121.72(13) 3_666 . ?
N2 C20 C19 110.32(12) . . ?
C23 O21 Si1 133.03(9) . . ?
O22 C23 O21 124.13(14) . . ?
O22 C23 C24 122.08(14) . . ?
O21 C23 C24 113.75(13) . . ?
C23 C24 C25 115.85(14) . . ?
C23 C24 H24A 108.3 . . ?
C25 C24 H24A 108.3 . . ?
C23 C24 H24B 108.3 . . ?
C25 C24 H24B 108.3 . . ?
H24A C24 H24B 107.4 . . ?
C26 C25 C24 113.40(15) . . ?
C26 C25 H25A 108.9 . . ?
C24 C25 H25A 108.9 . . ?
C26 C25 H25B 108.9 . . ?
C24 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C25 C26 C27 112.19(15) . . ?
C25 C26 H26A 109.2 . . ?
C27 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
C27 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C28 C27 C26 112.78(15) . . ?
C28 C27 H27A 109.0 . . ?
C26 C27 H27A 109.0 . . ?
C28 C27 H27B 109.0 . . ?
C26 C27 H27B 109.0 . . ?
H27A C27 H27B 107.8 . . ?
N29 C28 C27 114.61(16) . . ?
N29 C28 H28A 108.6 . . ?
C27 C28 H28A 108.6 . . ?
N29 C28 H28B 108.6 . . ?
C27 C28 H28B 108.6 . . ?
H28A C28 H28B 107.6 . . ?
N30 N29 C28 117.25(16) . . ?
N31 N30 N29 172.8(2) . . ?

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
C20 N3 C4 N1 1.3(2) 3_666 . . . ?
C20 N3 C4 C5 -178.08(14) 3_666 . . . ?
C11 N1 C4 N3 179.87(14) . . . . ?
Si1 N1 C4 N3 4.1(2) . . . . ?
C11 N1 C4 C5 -0.70(16) . . . . ?
Si1 N1 C4 C5 -176.47(10) . . . . ?
N3 C4 C5 C10 178.91(14) . . . . ?
N1 C4 C5 C10 -0.57(16) . . . . ?
N3 C4 C5 C6 -0.2(3) . . . . ?
N1 C4 C5 C6 -179.71(16) . . . . ?
C10 C5 C6 C7 0.8(2) . . . . ?
C4 C5 C6 C7 179.86(16) . . . . ?
C5 C6 C7 C8 -1.6(2) . . . . ?
C6 C7 C8 C9 0.8(3) . . . . ?
C7 C8 C9 C10 0.7(3) . . . . ?
C6 C5 C10 C9 0.7(2) . . . . ?
C4 C5 C10 C9 -178.51(14) . . . . ?
C6 C5 C10 C11 -179.22(14) . . . . ?
C4 C5 C10 C11 1.54(16) . . . . ?
C8 C9 C10 C5 -1.5(2) . . . . ?
C8 C9 C10 C11 178.45(16) . . . . ?
C4 N1 C11 N12 -175.32(14) . . . . ?
Si1 N1 C11 N12 0.4(2) . . . . ?
C4 N1 C11 C10 1.67(16) . . . . ?
Si1 N1 C11 C10 177.42(9) . . . . ?
C5 C10 C11 N12 175.14(13) . . . . ?
C9 C10 C11 N12 -4.8(3) . . . . ?
C5 C10 C11 N1 -2.04(16) . . . . ?
C9 C10 C11 N1 178.02(15) . . . . ?
N1 C11 N12 C13 -0.4(2) . . . . ?
C10 C11 N12 C13 -177.06(13) . . . . ?
C11 N12 C13 N2 -2.0(2) . . . . ?
C11 N12 C13 C14 178.46(13) . . . . ?
C20 N2 C13 N12 -178.29(14) . . . . ?
Si1 N2 C13 N12 4.3(2) . . . . ?
C20 N2 C13 C14 1.27(15) . . . . ?
Si1 N2 C13 C14 -176.17(9) . . . . ?
N12 C13 C14 C19 179.31(13) . . . . ?
N2 C13 C14 C19 -0.28(16) . . . . ?
N12 C13 C14 C15 -0.1(3) . . . . ?
N2 C13 C14 C15 -179.66(15) . . . . ?
C19 C14 C15 C16 0.6(2) . . . . ?
C13 C14 C15 C16 179.88(15) . . . . ?
C14 C15 C16 C17 0.1(2) . . . . ?
C15 C16 C17 C18 -0.6(3) . . . . ?
C16 C17 C18 C19 0.3(2) . . . . ?
C15 C14 C19 C18 -0.9(2) . . . . ?
C13 C14 C19 C18 179.66(14) . . . . ?
C15 C14 C19 C20 178.67(14) . . . . ?
C13 C14 C19 C20 -0.79(16) . . . . ?
C17 C18 C19 C14 0.4(2) . . . . ?
C17 C18 C19 C20 -179.00(15) . . . . ?
C13 N2 C20 N3 177.74(14) . . . 3_666 ?
Si1 N2 C20 N3 -4.8(2) . . . 3_666 ?
C13 N2 C20 C19 -1.78(16) . . . . ?
Si1 N2 C20 C19 175.67(9) . . . . ?
C14 C19 C20 N3 -177.93(14) . . . 3_666 ?
C18 C19 C20 N3 1.6(3) . . . 3_666 ?
C14 C19 C20 N2 1.63(17) . . . . ?
C18 C19 C20 N2 -178.89(15) . . . . ?
N1 Si1 O21 C23 -52.35(12) 3_666 . . . ?
N1 Si1 O21 C23 127.65(12) . . . . ?
N2 Si1 O21 C23 -142.19(12) 3_666 . . . ?
N2 Si1 O21 C23 37.81(12) . . . . ?
Si1 O21 C23 O22 9.7(2) . . . . ?
Si1 O21 C23 C24 -172.61(10) . . . . ?
O22 C23 C24 C25 -151.12(16) . . . . ?
O21 C23 C24 C25 31.13(19) . . . . ?
C23 C24 C25 C26 71.08(19) . . . . ?
C24 C25 C26 C27 179.05(15) . . . . ?
C25 C26 C27 C28 -179.35(16) . . . . ?
C26 C27 C28 N29 175.29(17) . . . . ?
C27 C28 N29 N30 33.0(3) . . . . ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
C28 H28B O22 0.99 2.36 3.343(2) 169.7 3_766
C28 H28B O22 0.99 2.36 3.343(2) 169.7 3_766

_refine_diff_density_max         0.240
_refine_diff_density_min         -0.335
_refine_diff_density_rms         0.048



