#------------------------------------------------------------------------------
#$Date: 2019-11-11 23:29:00 +0200 (Mon, 11 Nov 2019) $
#$Revision: 227445 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/28/1552812.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_1552812
loop_
_publ_author_name
'Sturtz, Benjamin W.'
'Moore, Curtis E.'
'Jenkins, Tyler S.'
'Miller, Jennifer L.'
'Momberger, Carlisle D.'
'Rheingold, Arnold L.'
'Kenney, Malcolm E.'
_publ_section_title
;
 Structural Data Showing the Existence of LDI Bonds between the Rings of
 Dimeric Cofacial Siloxysilicon Phthalocyanines.
;
_journal_issue                   2
_journal_name_full               'The journal of physical chemistry. A'
_journal_page_first              471
_journal_page_last               481
_journal_paper_doi               10.1021/acs.jpca.8b09247
_journal_volume                  123
_journal_year                    2019
_chemical_formula_moiety         'C74 H58 N16 O3 Si4'
_chemical_formula_sum            'C74 H58 N16 O3 Si4'
_chemical_formula_weight         1331.72
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2016-08-04
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2016.07.26 svn.r3321 for OlexSys, GUI svn.r5206)
;
_cell_angle_alpha                90.00(3)
_cell_angle_beta                 99.20(3)
_cell_angle_gamma                90.00(3)
_cell_formula_units_Z            4
_cell_length_a                   14.531(3)
_cell_length_b                   19.058(4)
_cell_length_c                   23.065(5)
_cell_measurement_reflns_used    9828
_cell_measurement_temperature    100
_cell_measurement_theta_max      69.73
_cell_measurement_theta_min      3.85
_cell_volume                     6305(2)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XM (Sheldrick, 2008)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 5.6
_diffrn_detector_type            'Bruker SMART CCD 6000 area detector'
_diffrn_measured_fraction_theta_full 0.957
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0446
_diffrn_reflns_av_unetI/netI     0.0453
_diffrn_reflns_Laue_measured_fraction_full 0.957
_diffrn_reflns_Laue_measured_fraction_max 0.953
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            21429
_diffrn_reflns_point_group_measured_fraction_full 0.957
_diffrn_reflns_point_group_measured_fraction_max 0.953
_diffrn_reflns_theta_full        67.500
_diffrn_reflns_theta_max         70.336
_diffrn_reflns_theta_min         4.640
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_target            Mo
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.412
_exptl_absorpt_correction_T_max  0.1688
_exptl_absorpt_correction_T_min  0.0633
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.0755 before and 0.0527 after correction.
The Ratio of minimum to maximum transmission is 0.3750.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            blue
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_description       block
_exptl_crystal_F_000             2776
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.460
_refine_diff_density_min         -0.344
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     441
_refine_ls_number_reflns         5743
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0458
_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)+(0.0756P)²+4.8497P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1241
_refine_ls_wR_factor_ref         0.1258
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5409
_reflns_number_total             5743
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jp8b09247_si_005.cif
_cod_data_source_block           kinney32_0m_a
_cod_database_code               1552812
_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.
;
_shelx_estimated_absorpt_t_max   0.693
_shelx_estimated_absorpt_t_min   0.669
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C35(H35A,H35B), C36(H36A,H36B)
2.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C19(H19), C5(H5), C22(H22), C6(H6), C21(H21), C30(H30),
 C14(H14), C29(H29), C20(H20), C12(H12), C11(H11), C13(H13), C27(H27), C28(H28)
2.c Idealised Me refined as rotating group:
 C34(H34A,H34B,H34C), C33(H33A,H33B,H33C), C37(H37A,H37B,H37C)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
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'
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
Si1 Si 0.60492(3) 0.36170(2) 0.73029(2) 0.02748(14) Uani 1 1 d . . .
Si2 Si 0.79471(3) 0.32782(2) 0.68033(2) 0.03288(14) Uani 1 1 d . . .
O2 O 0.71095(8) 0.36340(6) 0.70848(5) 0.0330(3) Uani 1 1 d . . .
O1 O 0.5000 0.36188(8) 0.7500 0.0291(3) Uani 1 2 d S T P
N4 N 0.57100(9) 0.44341(7) 0.68301(6) 0.0289(3) Uani 1 1 d . . .
N5 N 0.49741(10) 0.38885(7) 0.59267(6) 0.0312(3) Uani 1 1 d . . .
N8 N 0.64154(9) 0.28005(7) 0.77819(6) 0.0305(3) Uani 1 1 d . . .
N6 N 0.55801(10) 0.30194(7) 0.66532(6) 0.0299(3) Uani 1 1 d . . .
N2 N 0.65526(9) 0.42090(7) 0.79543(6) 0.0289(3) Uani 1 1 d . . .
N1 N 0.71041(10) 0.33444(8) 0.86959(6) 0.0320(3) Uani 1 1 d . . .
N7 N 0.59529(10) 0.18711(7) 0.70798(6) 0.0329(3) Uani 1 1 d . . .
N3 N 0.62606(10) 0.53594(7) 0.75172(6) 0.0306(3) Uani 1 1 d . . .
C3 C 0.77158(12) 0.46469(10) 0.94396(8) 0.0350(4) Uani 1 1 d . . .
H3 H 0.7842 0.4243 0.9681 0.042 Uiso 1 1 calc R . .
C16 C 0.52343(11) 0.44356(9) 0.62661(7) 0.0294(3) Uani 1 1 d . . .
C24 C 0.55989(12) 0.22984(9) 0.66488(8) 0.0321(3) Uani 1 1 d . . .
C8 C 0.66026(11) 0.49312(9) 0.79467(7) 0.0296(3) Uani 1 1 d . . .
C2 C 0.72805(11) 0.45932(9) 0.88618(7) 0.0310(3) Uani 1 1 d . . .
C4 C 0.79592(13) 0.53109(10) 0.96526(8) 0.0380(4) Uani 1 1 d . . .
H4 H 0.8260 0.5366 1.0047 0.046 Uiso 1 1 calc R . .
C19 C 0.44180(12) 0.25672(10) 0.51708(8) 0.0360(4) Uani 1 1 d . . .
H19 H 0.4204 0.2968 0.4943 0.043 Uiso 1 1 calc R . .
C17 C 0.51419(11) 0.32376(9) 0.61128(7) 0.0305(3) Uani 1 1 d . . .
C15 C 0.50317(11) 0.51542(9) 0.60766(7) 0.0305(3) Uani 1 1 d . . .
C5 C 0.77686(13) 0.59040(10) 0.92950(8) 0.0380(4) Uani 1 1 d . . .
H5 H 0.7950 0.6353 0.9451 0.046 Uiso 1 1 calc R . .
C10 C 0.53982(11) 0.55797(9) 0.65451(7) 0.0310(3) Uani 1 1 d . . .
C23 C 0.51685(11) 0.20444(9) 0.60820(7) 0.0322(4) Uani 1 1 d . . .
C22 C 0.50342(12) 0.13682(9) 0.58539(8) 0.0368(4) Uani 1 1 d . . .
H22 H 0.5234 0.0967 0.6084 0.044 Uiso 1 1 calc R . .
C31 C 0.70510(11) 0.20857(9) 0.85492(8) 0.0322(3) Uani 1 1 d . . .
C32 C 0.68482(11) 0.28003(9) 0.83521(7) 0.0310(3) Uani 1 1 d . . .
C9 C 0.58269(11) 0.51206(8) 0.70095(7) 0.0293(3) Uani 1 1 d . . .
C6 C 0.73241(12) 0.58516(9) 0.87220(8) 0.0352(4) Uani 1 1 d . . .
H6 H 0.7192 0.6256 0.8482 0.042 Uiso 1 1 calc R . .
C18 C 0.48732(12) 0.26322(9) 0.57448(8) 0.0323(3) Uani 1 1 d . . .
C26 C 0.67344(11) 0.16548(9) 0.80743(8) 0.0328(4) Uani 1 1 d . . .
C21 C 0.45987(13) 0.13065(10) 0.52796(9) 0.0409(4) Uani 1 1 d . . .
H21 H 0.4508 0.0853 0.5109 0.049 Uiso 1 1 calc R . .
C7 C 0.70763(11) 0.51834(9) 0.85103(7) 0.0310(3) Uani 1 1 d . . .
C30 C 0.75000(12) 0.18209(10) 0.90810(8) 0.0364(4) Uani 1 1 d . . .
H30 H 0.7695 0.2118 0.9408 0.044 Uiso 1 1 calc R . .
C25 C 0.63260(11) 0.21103(9) 0.75991(8) 0.0315(3) Uani 1 1 d . . .
C14 C 0.45617(12) 0.54394(9) 0.55572(7) 0.0335(4) Uani 1 1 d . . .
H14 H 0.4309 0.5150 0.5236 0.040 Uiso 1 1 calc R . .
C1 C 0.69629(11) 0.39933(9) 0.85023(7) 0.0300(3) Uani 1 1 d . . .
C29 C 0.76497(13) 0.11029(10) 0.91107(8) 0.0398(4) Uani 1 1 d . . .
H29 H 0.7966 0.0902 0.9464 0.048 Uiso 1 1 calc R . .
C20 C 0.42872(13) 0.18956(10) 0.49415(8) 0.0404(4) Uani 1 1 d . . .
H20 H 0.3982 0.1834 0.4549 0.048 Uiso 1 1 calc R . .
C12 C 0.48445(13) 0.65867(9) 0.60022(8) 0.0378(4) Uani 1 1 d . . .
H12 H 0.4772 0.7081 0.5968 0.045 Uiso 1 1 calc R . .
C11 C 0.53094(12) 0.63065(9) 0.65187(8) 0.0344(4) Uani 1 1 d . . .
H11 H 0.5557 0.6596 0.6841 0.041 Uiso 1 1 calc R . .
C13 C 0.44774(13) 0.61596(10) 0.55279(8) 0.0372(4) Uani 1 1 d . . .
H13 H 0.4163 0.6370 0.5178 0.045 Uiso 1 1 calc R . .
C27 C 0.68709(13) 0.09305(9) 0.81086(8) 0.0369(4) Uani 1 1 d . . .
H27 H 0.6648 0.0631 0.7788 0.044 Uiso 1 1 calc R . .
C35 C 0.88454(14) 0.39612(10) 0.67452(11) 0.0481(5) Uani 1 1 d . . .
H35A H 0.8547 0.4346 0.6494 0.058 Uiso 1 1 calc R . .
H35B H 0.9054 0.4159 0.7141 0.058 Uiso 1 1 calc R . .
C34 C 0.75260(15) 0.29317(13) 0.60478(9) 0.0503(5) Uani 1 1 d . . .
H34A H 0.7069 0.2558 0.6069 0.075 Uiso 1 1 calc GR . .
H34B H 0.8055 0.2743 0.5882 0.075 Uiso 1 1 calc GR . .
H34C H 0.7234 0.3312 0.5798 0.075 Uiso 1 1 calc GR . .
C28 C 0.73455(13) 0.06692(10) 0.86319(9) 0.0405(4) Uani 1 1 d . . .
H28 H 0.7468 0.0180 0.8666 0.049 Uiso 1 1 calc R . .
C36 C 0.96972(16) 0.37202(13) 0.64999(12) 0.0595(6) Uani 1 1 d . . .
H36A H 0.9495 0.3506 0.6109 0.071 Uiso 1 1 calc R . .
H36B H 1.0020 0.3353 0.6760 0.071 Uiso 1 1 calc R . .
C33 C 0.84942(13) 0.25537(10) 0.72825(9) 0.0429(4) Uani 1 1 d . . .
H33A H 0.8695 0.2732 0.7681 0.064 Uiso 1 1 calc GR . .
H33B H 0.9036 0.2372 0.7126 0.064 Uiso 1 1 calc GR . .
H33C H 0.8040 0.2176 0.7293 0.064 Uiso 1 1 calc GR . .
C37 C 1.03804(19) 0.43071(16) 0.64393(15) 0.0771(8) Uani 1 1 d . . .
H37A H 1.0091 0.4644 0.6145 0.116 Uiso 1 1 calc GR . .
H37B H 1.0942 0.4111 0.6316 0.116 Uiso 1 1 calc GR . .
H37C H 1.0549 0.4545 0.6818 0.116 Uiso 1 1 calc GR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
O2 Si1 N4 88.80(6) .
O2 Si1 N8 90.27(7) .
O2 Si1 N6 90.34(6) .
O2 Si1 N2 88.31(6) .
O1 Si1 O2 178.21(6) .
O1 Si1 N4 89.44(7) .
O1 Si1 N8 91.49(7) .
O1 Si1 N6 89.31(6) .
O1 Si1 N2 92.06(6) .
N4 Si1 N8 178.90(6) .
N4 Si1 N2 89.94(6) .
N6 Si1 N4 90.63(6) .
N6 Si1 N8 89.97(7) .
N6 Si1 N2 178.52(6) .
N2 Si1 N8 89.44(6) .
O2 Si2 C35 108.47(8) .
O2 Si2 C34 111.51(8) .
O2 Si2 C33 110.44(8) .
C35 Si2 C34 107.93(11) .
C35 Si2 C33 108.83(10) .
C33 Si2 C34 109.59(11) .
Si2 O2 Si1 152.74(8) .
Si1 O1 Si1 179.77(11) 2_656
C16 N4 Si1 125.80(11) .
C16 N4 C9 107.62(14) .
C9 N4 Si1 126.37(11) .
C16 N5 C17 121.81(15) .
C32 N8 Si1 126.41(12) .
C32 N8 C25 107.49(14) .
C25 N8 Si1 126.03(12) .
C24 N6 Si1 126.46(12) .
C17 N6 Si1 125.85(12) .
C17 N6 C24 107.67(14) .
C8 N2 Si1 126.07(11) .
C1 N2 Si1 126.72(12) .
C1 N2 C8 107.16(14) .
C1 N1 C32 121.23(15) .
C25 N7 C24 121.67(15) .
C8 N3 C9 121.53(15) .
C2 C3 H3 121.3 .
C4 C3 H3 121.3 .
C4 C3 C2 117.45(17) .
N4 C16 C15 109.52(15) .
N5 C16 N4 127.79(15) .
N5 C16 C15 122.69(15) .
N6 C24 C23 109.66(15) .
N7 C24 N6 127.98(16) .
N7 C24 C23 122.36(16) .
N2 C8 C7 109.72(15) .
N3 C8 N2 127.85(15) .
N3 C8 C7 122.39(15) .
C3 C2 C7 121.58(16) .
C3 C2 C1 131.76(16) .
C7 C2 C1 106.66(15) .
C3 C4 H4 119.5 .
C3 C4 C5 120.94(17) .
C5 C4 H4 119.5 .
C18 C19 H19 121.3 .
C20 C19 H19 121.3 .
C20 C19 C18 117.50(17) .
N5 C17 N6 127.92(15) .
N5 C17 C18 122.58(16) .
N6 C17 C18 109.50(15) .
C10 C15 C16 106.41(15) .
C10 C15 C14 121.12(16) .
C14 C15 C16 132.45(16) .
C4 C5 H5 119.2 .
C6 C5 C4 121.62(17) .
C6 C5 H5 119.2 .
C15 C10 C9 106.84(15) .
C15 C10 C11 121.76(16) .
C11 C10 C9 131.40(16) .
C22 C23 C24 131.89(17) .
C18 C23 C24 106.69(15) .
C18 C23 C22 121.42(17) .
C23 C22 H22 121.4 .
C21 C22 C23 117.16(17) .
C21 C22 H22 121.4 .
C26 C31 C32 106.45(15) .
C26 C31 C30 122.13(16) .
C30 C31 C32 131.37(17) .
N8 C32 C31 109.97(15) .
N1 C32 N8 128.33(15) .
N1 C32 C31 121.65(16) .
N4 C9 C10 109.61(15) .
N3 C9 N4 127.89(15) .
N3 C9 C10 122.50(15) .
C5 C6 H6 121.4 .
C5 C6 C7 117.28(17) .
C7 C6 H6 121.4 .
C19 C18 C17 132.29(17) .
C19 C18 C23 121.24(16) .
C23 C18 C17 106.47(15) .
C31 C26 C25 106.65(15) .
C31 C26 C27 120.98(17) .
C27 C26 C25 132.32(17) .
C22 C21 H21 119.2 .
C22 C21 C20 121.63(17) .
C20 C21 H21 119.2 .
C2 C7 C8 106.30(15) .
C6 C7 C8 132.58(17) .
C6 C7 C2 121.12(16) .
C31 C30 H30 121.6 .
C29 C30 C31 116.77(18) .
C29 C30 H30 121.6 .
N8 C25 C26 109.43(15) .
N7 C25 N8 127.83(16) .
N7 C25 C26 122.74(16) .
C15 C14 H14 121.3 .
C13 C14 C15 117.30(17) .
C13 C14 H14 121.3 .
N2 C1 C2 110.10(15) .
N1 C1 N2 127.87(16) .
N1 C1 C2 121.97(15) .
C30 C29 H29 119.4 .
C30 C29 C28 121.28(17) .
C28 C29 H29 119.4 .
C19 C20 C21 121.03(17) .
C19 C20 H20 119.5 .
C21 C20 H20 119.5 .
C11 C12 H12 119.2 .
C11 C12 C13 121.53(17) .
C13 C12 H12 119.2 .
C10 C11 H11 121.6 .
C12 C11 C10 116.88(17) .
C12 C11 H11 121.6 .
C14 C13 C12 121.40(17) .
C14 C13 H13 119.3 .
C12 C13 H13 119.3 .
C26 C27 H27 121.6 .
C28 C27 C26 116.89(18) .
C28 C27 H27 121.6 .
Si2 C35 H35A 108.3 .
Si2 C35 H35B 108.3 .
H35A C35 H35B 107.4 .
C36 C35 Si2 116.07(15) .
C36 C35 H35A 108.3 .
C36 C35 H35B 108.3 .
Si2 C34 H34A 109.5 .
Si2 C34 H34B 109.5 .
Si2 C34 H34C 109.5 .
H34A C34 H34B 109.5 .
H34A C34 H34C 109.5 .
H34B C34 H34C 109.5 .
C29 C28 H28 119.0 .
C27 C28 C29 121.90(17) .
C27 C28 H28 119.0 .
C35 C36 H36A 108.9 .
C35 C36 H36B 108.9 .
C35 C36 C37 113.4(2) .
H36A C36 H36B 107.7 .
C37 C36 H36A 108.9 .
C37 C36 H36B 108.9 .
Si2 C33 H33A 109.5 .
Si2 C33 H33B 109.5 .
Si2 C33 H33C 109.5 .
H33A C33 H33B 109.5 .
H33A C33 H33C 109.5 .
H33B C33 H33C 109.5 .
C36 C37 H37A 109.5 .
C36 C37 H37B 109.5 .
C36 C37 H37C 109.5 .
H37A C37 H37B 109.5 .
H37A C37 H37C 109.5 .
H37B C37 H37C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Si1 O2 1.6958(13) .
Si1 O1 1.6592(5) .
Si1 N4 1.9196(15) .
Si1 N8 1.9334(16) .
Si1 N6 1.9185(16) .
Si1 N2 1.9272(16) .
Si2 O2 1.6173(13) .
Si2 C35 1.863(2) .
Si2 C34 1.872(2) .
Si2 C33 1.865(2) .
O1 Si1 1.6591(6) 2_656
N4 C16 1.372(2) .
N4 C9 1.374(2) .
N5 C16 1.322(2) .
N5 C17 1.323(2) .
N8 C32 1.364(2) .
N8 C25 1.381(2) .
N6 C24 1.374(2) .
N6 C17 1.370(2) .
N2 C8 1.379(2) .
N2 C1 1.371(2) .
N1 C32 1.322(2) .
N1 C1 1.320(2) .
N7 C24 1.324(2) .
N7 C25 1.315(2) .
N3 C8 1.318(2) .
N3 C9 1.319(2) .
C3 H3 0.9500 .
C3 C2 1.385(2) .
C3 C4 1.383(3) .
C16 C15 1.453(2) .
C24 C23 1.440(2) .
C8 C7 1.452(2) .
C2 C7 1.391(2) .
C2 C1 1.444(2) .
C4 H4 0.9500 .
C4 C5 1.400(3) .
C19 H19 0.9500 .
C19 C18 1.388(3) .
C19 C20 1.386(3) .
C17 C18 1.448(2) .
C15 C10 1.387(2) .
C15 C14 1.391(2) .
C5 H5 0.9500 .
C5 C6 1.379(3) .
C10 C9 1.445(2) .
C10 C11 1.391(2) .
C23 C22 1.394(2) .
C23 C18 1.392(3) .
C22 H22 0.9500 .
C22 C21 1.379(3) .
C31 C32 1.451(2) .
C31 C26 1.387(3) .
C31 C30 1.389(2) .
C6 H6 0.9500 .
C6 C7 1.391(2) .
C26 C25 1.449(2) .
C26 C27 1.395(2) .
C21 H21 0.9500 .
C21 C20 1.400(3) .
C30 H30 0.9500 .
C30 C29 1.386(3) .
C14 H14 0.9500 .
C14 C13 1.379(3) .
C29 H29 0.9500 .
C29 C28 1.394(3) .
C20 H20 0.9500 .
C12 H12 0.9500 .
C12 C11 1.380(3) .
C12 C13 1.399(3) .
C11 H11 0.9500 .
C13 H13 0.9500 .
C27 H27 0.9500 .
C27 C28 1.384(3) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C35 C36 1.512(3) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C28 H28 0.9500 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C36 C37 1.517(3) .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C37 H37C 0.9800 .
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
Si1 N4 C16 N5 -4.9(2)
Si1 N4 C16 C15 174.59(10)
Si1 N4 C9 N3 6.4(2)
Si1 N4 C9 C10 -174.13(10)
Si1 N8 C32 N1 0.3(2)
Si1 N8 C32 C31 -177.03(11)
Si1 N8 C25 N7 -2.5(2)
Si1 N8 C25 C26 176.29(11)
Si1 N6 C24 N7 -1.3(2)
Si1 N6 C24 C23 179.25(11)
Si1 N6 C17 N5 1.6(2)
Si1 N6 C17 C18 -178.80(11)
Si1 N2 C8 N3 5.6(2)
Si1 N2 C8 C7 -176.60(10)
Si1 N2 C1 N1 0.5(2)
Si1 N2 C1 C2 177.97(10)
Si2 C35 C36 C37 177.5(2)
O2 Si2 C35 C36 178.90(17)
N4 Si1 O2 Si2 -126.43(18)
N4 C16 C15 C10 -0.20(18)
N4 C16 C15 C14 -178.86(16)
N5 C16 C15 C10 179.35(15)
N5 C16 C15 C14 0.7(3)
N5 C17 C18 C19 -0.5(3)
N5 C17 C18 C23 179.35(15)
N8 Si1 O2 Si2 54.17(18)
N6 Si1 O2 Si2 -35.81(18)
N6 C24 C23 C22 178.38(17)
N6 C24 C23 C18 -0.98(18)
N6 C17 C18 C19 179.90(17)
N6 C17 C18 C23 -0.24(18)
N2 Si1 O2 Si2 143.59(18)
N2 C8 C7 C2 -1.95(18)
N2 C8 C7 C6 178.07(17)
N7 C24 C23 C22 -1.1(3)
N7 C24 C23 C18 179.56(15)
N3 C8 C7 C2 175.99(15)
N3 C8 C7 C6 -4.0(3)
C3 C2 C7 C8 -178.31(15)
C3 C2 C7 C6 1.7(3)
C3 C2 C1 N2 178.80(16)
C3 C2 C1 N1 -3.6(3)
C3 C4 C5 C6 0.7(3)
C16 N4 C9 N3 -178.70(16)
C16 N4 C9 C10 0.81(17)
C16 N5 C17 N6 0.3(3)
C16 N5 C17 C18 -179.16(15)
C16 C15 C10 C9 0.67(17)
C16 C15 C10 C11 -178.52(15)
C16 C15 C14 C13 178.60(17)
C24 N6 C17 N5 -179.93(16)
C24 N6 C17 C18 -0.37(18)
C24 N7 C25 N8 -0.1(3)
C24 N7 C25 C26 -178.75(15)
C24 C23 C22 C21 -179.11(17)
C24 C23 C18 C19 -179.40(15)
C24 C23 C18 C17 0.72(18)
C8 N2 C1 N1 -176.93(16)
C8 N2 C1 C2 0.52(17)
C8 N3 C9 N4 -4.3(3)
C8 N3 C9 C10 176.23(14)
C2 C3 C4 C5 0.1(3)
C4 C3 C2 C7 -1.3(3)
C4 C3 C2 C1 178.07(16)
C4 C5 C6 C7 -0.4(3)
C17 N5 C16 N4 1.4(3)
C17 N5 C16 C15 -178.06(15)
C17 N6 C24 N7 -179.75(16)
C17 N6 C24 C23 0.83(18)
C15 C10 C9 N4 -0.94(18)
C15 C10 C9 N3 178.60(15)
C15 C10 C11 C12 -0.5(2)
C15 C14 C13 C12 -0.4(3)
C5 C6 C7 C8 179.21(16)
C5 C6 C7 C2 -0.8(2)
C10 C15 C14 C13 0.1(2)
C23 C22 C21 C20 -1.2(3)
C22 C23 C18 C19 1.2(3)
C22 C23 C18 C17 -178.73(15)
C22 C21 C20 C19 0.9(3)
C31 C26 C25 N8 1.31(18)
C31 C26 C25 N7 -179.79(15)
C31 C26 C27 C28 -1.0(3)
C31 C30 C29 C28 -1.3(3)
C32 N8 C25 N7 -179.70(16)
C32 N8 C25 C26 -0.88(18)
C32 N1 C1 N2 0.4(3)
C32 N1 C1 C2 -176.76(15)
C32 C31 C26 C25 -1.18(18)
C32 C31 C26 C27 176.47(15)
C32 C31 C30 C29 -174.74(17)
C9 N4 C16 N5 -179.90(15)
C9 N4 C16 C15 -0.39(18)
C9 N3 C8 N2 -2.0(3)
C9 N3 C8 C7 -179.54(14)
C9 C10 C11 C12 -179.42(17)
C18 C19 C20 C21 0.4(3)
C18 C23 C22 C21 0.2(3)
C26 C31 C32 N8 0.70(19)
C26 C31 C32 N1 -176.80(15)
C26 C31 C30 C29 2.3(3)
C26 C27 C28 C29 2.0(3)
C7 C2 C1 N2 -1.75(18)
C7 C2 C1 N1 175.88(15)
C30 C31 C32 N8 178.06(17)
C30 C31 C32 N1 0.6(3)
C30 C31 C26 C25 -178.84(15)
C30 C31 C26 C27 -1.2(3)
C30 C29 C28 C27 -0.9(3)
C25 N8 C32 N1 177.41(16)
C25 N8 C32 C31 0.12(18)
C25 N7 C24 N6 2.1(3)
C25 N7 C24 C23 -178.53(15)
C25 C26 C27 C28 176.01(17)
C14 C15 C10 C9 179.51(14)
C14 C15 C10 C11 0.3(2)
C1 N2 C8 N3 -176.93(15)
C1 N2 C8 C7 0.87(17)
C1 N1 C32 N8 -0.8(3)
C1 N1 C32 C31 176.18(15)
C1 C2 C7 C8 2.17(17)
C1 C2 C7 C6 -177.85(15)
C20 C19 C18 C17 178.43(17)
C20 C19 C18 C23 -1.4(3)
C11 C10 C9 N4 178.14(17)
C11 C10 C9 N3 -2.3(3)
C11 C12 C13 C14 0.2(3)
C13 C12 C11 C10 0.2(3)
C27 C26 C25 N8 -175.97(17)
C27 C26 C25 N7 2.9(3)
C35 Si2 O2 Si1 175.45(18)
C34 Si2 O2 Si1 56.7(2)
C34 Si2 C35 C36 -60.1(2)
C33 Si2 O2 Si1 -65.4(2)
C33 Si2 C35 C36 58.7(2)
