#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/82/1508254.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1508254
loop_
_publ_author_name
'Yang, Yang'
'Kennedy, Vance O.'
'Updegraph, 3rd, James B'
'Samas, Brian'
'Macikenas, Dainius'
'Chaloux, Brian'
'Miller, Jacob A.'
'Van Goethem, Erika M.'
'Kenney, Malcolm E.'
_publ_section_title
;
 Long Directional Interactions (LDIs) in Oligomeric Cofacial Silicon
 Phthalocyanines and Other Oligomeric and Polymeric Cofacial
 Phthalocyanines.
;
_journal_issue                   34
_journal_name_full               'The journal of physical chemistry. A'
_journal_page_first              8718
_journal_page_last               8730
_journal_paper_doi               10.1021/jp3025182
_journal_volume                  116
_journal_year                    2012
_chemical_formula_moiety         'C34 H47 N4 O Si1.50'
_chemical_formula_sum            'C34 H47 N4 O Si1.5'
_chemical_formula_weight         569.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.4380(10)
_cell_angle_beta                 108.1370(10)
_cell_angle_gamma                94.6920(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8347(2)
_cell_length_b                   12.3153(2)
_cell_length_c                   13.6788(2)
_cell_measurement_reflns_used    7432
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.2805
_cell_measurement_theta_min      2.1665
_cell_volume                     1559.87(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'ccd area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0316
_diffrn_reflns_av_sigmaI/netI    0.0305
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            43437
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         1.58
_diffrn_standards_decay_%        none
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  0.9886
_exptl_absorpt_correction_T_min  0.9663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'AXScale in APEX2 (Bruker, 2004)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.213
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular block'
_exptl_crystal_F_000             616
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.515
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.335
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     555
_refine_ls_number_reflns         9449
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.335
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0394
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0541P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1126
_reflns_number_gt                7701
_reflns_number_total             9449
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jp3025182_si_002.cif
_cod_data_source_block           ju073106b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C34 H47 N4 O Si1.50'
_cod_database_code               1508254
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Si1 Si 0.0000 0.0000 0.0000 0.01155(9) Uani 1 2 d S
Si2 Si 0.33412(3) 0.08799(2) 0.13414(2) 0.01252(8) Uani 1 1 d .
O1 O 0.16255(8) 0.05482(6) 0.07762(5) 0.01440(16) Uani 1 1 d .
N3 N 0.04645(9) -0.14318(7) 0.03692(7) 0.01265(17) Uani 1 1 d .
N1 N -0.07278(9) 0.02021(7) 0.11492(7) 0.01282(18) Uani 1 1 d .
N4 N 0.14665(10) -0.20295(7) -0.09693(7) 0.01423(18) Uani 1 1 d .
N2 N -0.02749(10) -0.15085(7) 0.18991(7) 0.01418(18) Uani 1 1 d .
C2 C -0.16888(11) 0.09711(8) 0.23531(8) 0.0137(2) Uani 1 1 d .
C16 C 0.10738(11) -0.21598(8) -0.01420(8) 0.0129(2) Uani 1 1 d .
C15 C 0.12656(11) -0.31515(9) 0.03748(8) 0.0137(2) Uani 1 1 d .
C8 C -0.07256(11) -0.05239(8) 0.18669(8) 0.0128(2) Uani 1 1 d .
C10 C 0.07559(11) -0.29980(8) 0.12140(8) 0.0137(2) Uani 1 1 d .
C7 C -0.13214(11) -0.00589(9) 0.26331(8) 0.0141(2) Uani 1 1 d .
C14 C 0.18208(12) -0.41134(9) 0.01656(9) 0.0167(2) Uani 1 1 d .
C4 C -0.25173(12) 0.12470(9) 0.37992(9) 0.0188(2) Uani 1 1 d .
C11 C 0.07801(12) -0.38044(9) 0.18772(9) 0.0164(2) Uani 1 1 d .
C12 C 0.13328(12) -0.47645(9) 0.16678(9) 0.0189(2) Uani 1 1 d .
C3 C -0.22983(12) 0.16403(9) 0.29330(8) 0.0162(2) Uani 1 1 d .
C1 C -0.12942(11) 0.11176(8) 0.14296(8) 0.0130(2) Uani 1 1 d .
C5 C -0.21310(13) 0.02167(9) 0.40885(9) 0.0193(2) Uani 1 1 d .
C13 C 0.18458(13) -0.49174(9) 0.08244(9) 0.0190(2) Uani 1 1 d .
C6 C -0.15282(12) -0.04530(9) 0.35113(9) 0.0178(2) Uani 1 1 d .
C9 C 0.02651(11) -0.19165(8) 0.11961(8) 0.0129(2) Uani 1 1 d .
C17 C 0.41761(12) 0.14096(9) 0.03879(9) 0.0161(2) Uani 1 1 d .
C18 C 0.36686(12) 0.25050(9) 0.00337(9) 0.0155(2) Uani 1 1 d .
C19 C 0.40830(13) 0.28663(9) -0.08875(9) 0.0180(2) Uani 1 1 d .
C20 C 0.35195(13) 0.39480(9) -0.11979(9) 0.0184(2) Uani 1 1 d .
C21 C 0.39337(14) 0.43785(10) -0.20950(10) 0.0228(2) Uani 1 1 d .
C22 C 0.32834(16) 0.54341(11) -0.23999(11) 0.0281(3) Uani 1 1 d .
C23 C 0.42038(12) -0.03504(9) 0.18432(9) 0.0165(2) Uani 1 1 d .
C24 C 0.38492(12) -0.07750(9) 0.27730(9) 0.0166(2) Uani 1 1 d .
C27 C 0.42846(13) -0.34609(9) 0.41394(9) 0.0182(2) Uani 1 1 d .
C25 C 0.43290(13) -0.19011(9) 0.30139(9) 0.0173(2) Uani 1 1 d .
C26 C 0.39211(13) -0.23038(9) 0.39188(9) 0.0179(2) Uani 1 1 d .
C28 C 0.38355(14) -0.38389(10) 0.50378(10) 0.0221(2) Uani 1 1 d .
C29 C 0.34507(13) 0.20191(10) 0.23631(9) 0.0194(2) Uani 1 1 d .
C32 C 0.15261(13) 0.25383(9) 0.44579(9) 0.0182(2) Uani 1 1 d .
C31 C 0.21027(13) 0.27442(9) 0.35677(9) 0.0188(2) Uani 1 1 d .
C30 C 0.27087(13) 0.17602(9) 0.31728(9) 0.0181(2) Uani 1 1 d .
C34 C 0.03250(15) 0.33551(11) 0.57090(10) 0.0245(3) Uani 1 1 d .
C33 C 0.08596(14) 0.35184(10) 0.47941(10) 0.0231(2) Uani 1 1 d .
H11 H 0.0427(14) -0.3663(11) 0.2429(10) 0.022(3) Uiso 1 1 d .
H14 H 0.2138(13) -0.4211(10) -0.0405(9) 0.014(3) Uiso 1 1 d .
H4 H -0.2926(14) 0.1676(11) 0.4238(10) 0.019(3) Uiso 1 1 d .
H18A H 0.2626(13) 0.2474(10) -0.0136(9) 0.009(3) Uiso 1 1 d .
H18B H 0.4089(14) 0.3112(11) 0.0618(10) 0.020(3) Uiso 1 1 d .
H19A H 0.5125(14) 0.2953(10) -0.0716(9) 0.016(3) Uiso 1 1 d .
H17A H 0.3903(15) 0.0844(12) -0.0216(11) 0.029(4) Uiso 1 1 d .
H17B H 0.5210(14) 0.1485(10) 0.0685(10) 0.018(3) Uiso 1 1 d .
H23A H 0.5234(15) -0.0214(11) 0.1991(10) 0.021(3) Uiso 1 1 d .
H24A H 0.2791(14) -0.0848(10) 0.2636(9) 0.016(3) Uiso 1 1 d .
H25A H 0.5364(14) -0.1903(11) 0.3149(10) 0.020(3) Uiso 1 1 d .
H26A H 0.4373(13) -0.1781(11) 0.4563(10) 0.017(3) Uiso 1 1 d .
H26B H 0.2867(14) -0.2287(11) 0.3772(10) 0.020(3) Uiso 1 1 d .
H27A H 0.5304(13) -0.3487(10) 0.4289(9) 0.010(3) Uiso 1 1 d .
H29A H 0.2970(16) 0.2607(13) 0.1990(11) 0.037(4) Uiso 1 1 d .
H30A H 0.1920(14) 0.1165(11) 0.2888(10) 0.018(3) Uiso 1 1 d .
H31A H 0.1256(14) 0.2951(11) 0.2963(10) 0.023(3) Uiso 1 1 d .
H32A H 0.0805(13) 0.1882(10) 0.4237(9) 0.016(3) Uiso 1 1 d .
H32B H 0.2369(14) 0.2352(11) 0.5075(10) 0.023(3) Uiso 1 1 d .
H34C H 0.1129(16) 0.3226(12) 0.6345(12) 0.035(4) Uiso 1 1 d .
H3 H -0.2568(15) 0.2295(12) 0.2749(11) 0.027(4) Uiso 1 1 d .
H5 H -0.2310(14) -0.0034(11) 0.4707(10) 0.021(3) Uiso 1 1 d .
H6 H -0.1259(15) -0.1152(12) 0.3727(10) 0.025(4) Uiso 1 1 d .
H13 H 0.2213(14) -0.5586(12) 0.0724(10) 0.023(3) Uiso 1 1 d .
H12 H 0.1373(14) -0.5341(11) 0.2119(10) 0.020(3) Uiso 1 1 d .
H34B H -0.0409(17) 0.2702(13) 0.5578(11) 0.038(4) Uiso 1 1 d .
H33A H 0.0037(17) 0.3700(13) 0.4214(12) 0.038(4) Uiso 1 1 d .
H31B H 0.2869(15) 0.3371(12) 0.3816(10) 0.030(4) Uiso 1 1 d .
H30B H 0.3423(16) 0.1493(12) 0.3785(11) 0.031(4) Uiso 1 1 d .
H20B H 0.3904(15) 0.4532(12) -0.0574(11) 0.028(4) Uiso 1 1 d .
H20A H 0.2476(15) 0.3847(11) -0.1361(10) 0.021(3) Uiso 1 1 d .
H21A H 0.3588(14) 0.3803(12) -0.2715(11) 0.024(4) Uiso 1 1 d .
H21B H 0.4993(15) 0.4506(11) -0.1930(10) 0.024(3) Uiso 1 1 d .
H28A H 0.4342(16) -0.3357(13) 0.5666(12) 0.033(4) Uiso 1 1 d .
H28B H 0.2791(17) -0.3826(12) 0.4895(11) 0.034(4) Uiso 1 1 d .
H28C H 0.4031(16) -0.4609(14) 0.5152(12) 0.039(4) Uiso 1 1 d .
H27B H 0.3781(15) -0.3985(12) 0.3516(11) 0.031(4) Uiso 1 1 d .
H25B H 0.3925(14) -0.2458(11) 0.2399(10) 0.020(3) Uiso 1 1 d .
H24B H 0.4338(15) -0.0248(12) 0.3406(11) 0.027(4) Uiso 1 1 d .
H23B H 0.3901(14) -0.0965(11) 0.1247(10) 0.023(3) Uiso 1 1 d .
H34A H -0.0088(16) 0.4023(13) 0.5926(11) 0.035(4) Uiso 1 1 d .
H33B H 0.1592(16) 0.4170(13) 0.4973(11) 0.035(4) Uiso 1 1 d .
H29B H 0.4459(16) 0.2345(12) 0.2726(11) 0.036(4) Uiso 1 1 d .
H19B H 0.3673(15) 0.2268(12) -0.1501(10) 0.026(4) Uiso 1 1 d .
H22B H 0.3606(17) 0.6047(13) -0.1777(12) 0.041(4) Uiso 1 1 d .
H22C H 0.3548(18) 0.5741(14) -0.2964(14) 0.052(5) Uiso 1 1 d .
H22A H 0.2228(19) 0.5333(14) -0.2607(12) 0.045(5) Uiso 1 1 d .
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'
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
O1 Si1 O1 180.00(7) . 2
O1 Si1 N3 90.05(4) . .
O1 Si1 N3 89.95(4) 2 .
O1 Si1 N3 89.95(4) . 2
O1 Si1 N3 90.05(4) 2 2
N3 Si1 N3 180.00(8) . 2
O1 Si1 N1 89.08(3) . .
O1 Si1 N1 90.92(3) 2 .
N3 Si1 N1 89.86(4) . .
N3 Si1 N1 90.14(4) 2 .
O1 Si1 N1 90.92(3) . 2
O1 Si1 N1 89.08(3) 2 2
N3 Si1 N1 90.14(4) . 2
N3 Si1 N1 89.86(4) 2 2
N1 Si1 N1 180.00(4) . 2
O1 Si2 C23 109.79(5) . .
O1 Si2 C17 109.50(5) . .
C23 Si2 C17 109.15(5) . .
O1 Si2 C29 104.26(5) . .
C23 Si2 C29 114.66(5) . .
C17 Si2 C29 109.32(5) . .
Si2 O1 Si1 165.71(5) . .
C9 N3 C16 107.32(8) . .
C9 N3 Si1 126.50(7) . .
C16 N3 Si1 126.18(7) . .
C1 N1 C8 107.25(8) . .
C1 N1 Si1 126.34(7) . .
C8 N1 Si1 126.37(7) . .
C16 N4 C1 121.51(9) . 2
C9 N2 C8 121.34(9) . .
C3 C2 C7 121.22(10) . .
C3 C2 C1 132.42(10) . .
C7 C2 C1 106.36(9) . .
N4 C16 N3 128.09(9) . .
N4 C16 C15 122.11(9) . .
N3 C16 C15 109.80(9) . .
C14 C15 C10 121.50(10) . .
C14 C15 C16 132.06(10) . .
C10 C15 C16 106.44(9) . .
N2 C8 N1 127.91(9) . .
N2 C8 C7 122.24(9) . .
N1 C8 C7 109.85(9) . .
C11 C10 C15 121.28(10) . .
C11 C10 C9 132.12(10) . .
C15 C10 C9 106.59(9) . .
C6 C7 C2 121.47(10) . .
C6 C7 C8 132.03(10) . .
C2 C7 C8 106.49(9) . .
C13 C14 C15 117.33(10) . .
C13 C14 H14 122.0(8) . .
C15 C14 H14 120.6(8) . .
C3 C4 C5 121.35(11) . .
C3 C4 H4 121.4(8) . .
C5 C4 H4 117.2(8) . .
C12 C11 C10 117.21(10) . .
C12 C11 H11 124.7(8) . .
C10 C11 H11 118.1(8) . .
C11 C12 C13 121.45(10) . .
C11 C12 H12 119.3(8) . .
C13 C12 H12 119.2(8) . .
C4 C3 C2 117.44(10) . .
C4 C3 H3 120.4(9) . .
C2 C3 H3 122.1(9) . .
N4 C1 N1 127.73(9) 2 .
N4 C1 C2 122.22(10) 2 .
N1 C1 C2 110.04(9) . .
C6 C5 C4 121.36(10) . .
C6 C5 H5 119.8(8) . .
C4 C5 H5 118.8(8) . .
C14 C13 C12 121.23(11) . .
C14 C13 H13 121.2(8) . .
C12 C13 H13 117.6(8) . .
C5 C6 C7 117.15(10) . .
C5 C6 H6 120.1(8) . .
C7 C6 H6 122.7(8) . .
N2 C9 N3 127.99(10) . .
N2 C9 C10 122.17(9) . .
N3 C9 C10 109.85(9) . .
C18 C17 Si2 112.87(7) . .
C18 C17 H17A 109.7(8) . .
Si2 C17 H17A 106.8(8) . .
C18 C17 H17B 110.1(8) . .
Si2 C17 H17B 109.5(7) . .
H17A C17 H17B 107.7(11) . .
C19 C18 C17 115.07(9) . .
C19 C18 H18A 108.5(7) . .
C17 C18 H18A 110.2(7) . .
C19 C18 H18B 106.6(7) . .
C17 C18 H18B 110.0(7) . .
H18A C18 H18B 106.1(10) . .
C20 C19 C18 111.66(9) . .
C20 C19 H19A 108.8(7) . .
C18 C19 H19A 109.9(7) . .
C20 C19 H19B 109.7(8) . .
C18 C19 H19B 109.0(8) . .
H19A C19 H19B 107.8(11) . .
C19 C20 C21 114.57(10) . .
C19 C20 H20B 109.1(8) . .
C21 C20 H20B 108.0(8) . .
C19 C20 H20A 107.6(8) . .
C21 C20 H20A 110.8(8) . .
H20B C20 H20A 106.6(11) . .
C20 C21 C22 112.05(10) . .
C20 C21 H21A 109.3(8) . .
C22 C21 H21A 108.9(8) . .
C20 C21 H21B 111.5(8) . .
C22 C21 H21B 109.2(8) . .
H21A C21 H21B 105.6(11) . .
C21 C22 H22B 111.3(9) . .
C21 C22 H22C 114.0(11) . .
H22B C22 H22C 106.4(13) . .
C21 C22 H22A 111.9(10) . .
H22B C22 H22A 105.3(13) . .
H22C C22 H22A 107.5(13) . .
C24 C23 Si2 116.41(8) . .
C24 C23 H23A 110.6(8) . .
Si2 C23 H23A 109.5(8) . .
C24 C23 H23B 108.7(7) . .
Si2 C23 H23B 107.5(7) . .
H23A C23 H23B 103.4(11) . .
C25 C24 C23 114.10(9) . .
C25 C24 H24A 106.3(7) . .
C23 C24 H24A 109.8(7) . .
C25 C24 H24B 107.4(8) . .
C23 C24 H24B 109.3(8) . .
H24A C24 H24B 109.8(11) . .
C28 C27 C26 112.51(10) . .
C28 C27 H27A 109.3(7) . .
C26 C27 H27A 109.5(7) . .
C28 C27 H27B 108.1(8) . .
C26 C27 H27B 109.6(8) . .
H27A C27 H27B 107.8(11) . .
C26 C25 C24 112.39(9) . .
C26 C25 H25A 109.6(8) . .
C24 C25 H25A 111.6(8) . .
C26 C25 H25B 109.2(7) . .
C24 C25 H25B 111.5(7) . .
H25A C25 H25B 102.0(10) . .
C25 C26 C27 114.22(10) . .
C25 C26 H26A 110.8(7) . .
C27 C26 H26A 109.7(7) . .
C25 C26 H26B 108.5(7) . .
C27 C26 H26B 108.6(8) . .
H26A C26 H26B 104.5(10) . .
C27 C28 H28A 109.8(9) . .
C27 C28 H28B 110.5(8) . .
H28A C28 H28B 108.8(12) . .
C27 C28 H28C 111.9(9) . .
H28A C28 H28C 109.5(12) . .
H28B C28 H28C 106.3(12) . .
C30 C29 Si2 116.79(8) . .
C30 C29 H29A 107.1(9) . .
Si2 C29 H29A 105.7(9) . .
C30 C29 H29B 109.1(8) . .
Si2 C29 H29B 112.1(9) . .
H29A C29 H29B 105.2(12) . .
C31 C32 C33 112.58(10) . .
C31 C32 H32A 108.2(7) . .
C33 C32 H32A 110.3(7) . .
C31 C32 H32B 108.3(7) . .
C33 C32 H32B 110.0(7) . .
H32A C32 H32B 107.2(10) . .
C32 C31 C30 114.09(10) . .
C32 C31 H31A 107.5(7) . .
C30 C31 H31A 108.6(8) . .
C32 C31 H31B 107.3(8) . .
C30 C31 H31B 109.5(8) . .
H31A C31 H31B 109.9(11) . .
C31 C30 C29 113.55(10) . .
C31 C30 H30A 108.3(8) . .
C29 C30 H30A 110.7(7) . .
C31 C30 H30B 108.0(8) . .
C29 C30 H30B 109.4(8) . .
H30A C30 H30B 106.6(11) . .
C33 C34 H34C 112.0(8) . .
C33 C34 H34B 113.1(9) . .
H34C C34 H34B 105.2(12) . .
C33 C34 H34A 112.2(9) . .
H34C C34 H34A 105.1(12) . .
H34B C34 H34A 108.8(12) . .
C34 C33 C32 113.86(10) . .
C34 C33 H33A 107.9(9) . .
C32 C33 H33A 111.1(9) . .
C34 C33 H33B 109.4(8) . .
C32 C33 H33B 108.3(9) . .
H33A C33 H33B 106.0(12) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O1 1.6717(7) .
Si1 O1 1.6717(7) 2
Si1 N3 1.9232(9) .
Si1 N3 1.9232(9) 2
Si1 N1 1.9273(9) .
Si1 N1 1.9273(9) 2
Si2 O1 1.6242(7) .
Si2 C23 1.8696(11) .
Si2 C17 1.8739(11) .
Si2 C29 1.8739(12) .
N3 C9 1.3776(13) .
N3 C16 1.3797(13) .
N1 C1 1.3775(13) .
N1 C8 1.3776(13) .
N4 C16 1.3212(13) .
N4 C1 1.3268(13) 2
N2 C9 1.3213(14) .
N2 C8 1.3240(13) .
C2 C3 1.3939(15) .
C2 C7 1.3966(14) .
C2 C1 1.4519(14) .
C16 C15 1.4544(14) .
C15 C14 1.3906(15) .
C15 C10 1.3947(15) .
C8 C7 1.4540(14) .
C10 C11 1.3927(14) .
C10 C9 1.4528(14) .
C7 C6 1.3950(15) .
C14 C13 1.3862(15) .
C14 H14 0.930(13) .
C4 C3 1.3841(15) .
C4 C5 1.4049(16) .
C4 H4 0.968(14) .
C11 C12 1.3875(15) .
C11 H11 0.935(14) .
C12 C13 1.4019(16) .
C12 H12 0.971(13) .
C3 H3 0.900(15) .
C1 N4 1.3268(13) 2
C5 C6 1.3878(16) .
C5 H5 0.983(13) .
C13 H13 0.942(14) .
C6 H6 0.963(14) .
C17 C18 1.5377(15) .
C17 H17A 0.991(15) .
C17 H17B 0.964(13) .
C18 C19 1.5260(15) .
C18 H18A 0.975(12) .
C18 H18B 1.010(13) .
C19 C20 1.5244(15) .
C19 H19A 0.973(13) .
C19 H19B 1.028(14) .
C20 C21 1.5263(16) .
C20 H20B 1.024(15) .
C20 H20A 0.976(13) .
C21 C22 1.5254(17) .
C21 H21A 1.013(14) .
C21 H21B 0.991(14) .
C22 H22B 1.044(16) .
C22 H22C 0.979(18) .
C22 H22A 0.982(17) .
C23 C24 1.5369(15) .
C23 H23A 0.967(14) .
C23 H23B 1.022(14) .
C24 C25 1.5282(15) .
C24 H24A 0.993(13) .
C24 H24B 1.002(14) .
C27 C28 1.5215(16) .
C27 C26 1.5271(15) .
C27 H27A 0.963(12) .
C27 H27B 0.994(14) .
C25 C26 1.5200(15) .
C25 H25A 0.976(13) .
C25 H25B 0.997(13) .
C26 H26A 1.005(13) .
C26 H26B 0.995(13) .
C28 H28A 0.972(15) .
C28 H28B 0.986(15) .
C28 H28C 0.997(17) .
C29 C30 1.5430(16) .
C29 H29A 0.985(16) .
C29 H29B 0.994(15) .
C32 C31 1.5240(16) .
C32 C33 1.5262(16) .
C32 H32A 0.991(13) .
C32 H32B 1.038(13) .
C31 C30 1.5273(16) .
C31 H31A 1.040(14) .
C31 H31B 0.992(14) .
C30 H30A 0.983(13) .
C30 H30B 1.008(15) .
C34 C33 1.5213(17) .
C34 H34C 1.011(15) .
C34 H34B 1.001(16) .
C34 H34A 1.010(16) .
C33 H33A 0.995(16) .
C33 H33B 0.994(15) .
