#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/25/4302571.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_4302571
loop_
_publ_author_name
'Vadapalli Chandrasekhar'
'Ramalingam Thirumoorthi'
_publ_contact_author             'Vadapalli Chandrasekhar'
_publ_contact_author_email       vc@iitk.ac.in
_publ_section_title
;
Tellurasiloxane Cages Containing Te6Si4O12 and Te6Si6O15 Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6236
_journal_page_last               6241
_journal_paper_doi               10.1021/ic900562n
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C80 H80 N4 O6 Si4 Te2'
_chemical_formula_sum            'C80 H80 N4 O6 Si4 Te2'
_chemical_formula_weight         1561.04
_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                105.406(5)
_cell_angle_beta                 97.549(5)
_cell_angle_gamma                114.546(5)
_cell_formula_units_Z            1
_cell_length_a                   12.778(5)
_cell_length_b                   12.818(5)
_cell_length_c                   12.993(5)
_cell_measurement_reflns_used    3068
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      25.64
_cell_measurement_theta_min      2.43
_cell_volume                     1793.9(12)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0315
_diffrn_reflns_av_sigmaI/netI    0.0695
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10797
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.12
_exptl_absorpt_coefficient_mu    0.937
_exptl_absorpt_correction_T_max  0.9122
_exptl_absorpt_correction_T_min  0.8348
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.445
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             796
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.805
_refine_diff_density_min         -1.039
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.126
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     437
_refine_ls_number_reflns         7579
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.126
_refine_ls_R_factor_all          0.0797
_refine_ls_R_factor_gt           0.0592
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0832P)²+8.8207P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1475
_refine_ls_wR_factor_ref         0.1931
_reflns_number_gt                6108
_reflns_number_total             7579
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900562n_si_001_3.cif
_cod_data_source_block           compound3
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_database_code               4302571
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Te1 Te 0.47307(3) 0.11880(3) 0.63260(3) 0.02454(15) Uani 1 1 d . . .
Si1 Si 0.33730(15) -0.14214(15) 0.69333(14) 0.0242(4) Uani 1 1 d . . .
Si2 Si 0.68531(15) 0.31548(15) 0.54743(14) 0.0247(4) Uani 1 1 d . . .
O1 O 0.3062(4) -0.2358(4) 0.5689(4) 0.0295(10) Uani 1 1 d . . .
O2 O 0.3707(4) -0.0055(4) 0.6982(4) 0.0287(10) Uani 1 1 d . . .
O3 O 0.5551(4) 0.2535(4) 0.5677(4) 0.0261(9) Uani 1 1 d . . .
N1 N 0.0287(5) -0.0883(7) 0.2272(5) 0.0454(17) Uani 1 1 d . . .
N2 N 0.3180(5) 0.4673(5) 0.9378(5) 0.0340(13) Uani 1 1 d . . .
C1 C 0.4667(5) -0.1402(6) 0.7825(5) 0.0268(13) Uani 1 1 d . . .
C2 C 0.5430(6) -0.0378(7) 0.8767(5) 0.0365(16) Uani 1 1 d . . .
H2 H 0.5283 0.0291 0.8945 0.044 Uiso 1 1 calc R . .
C3 C 0.6398(7) -0.0319(9) 0.9448(6) 0.047(2) Uani 1 1 d . . .
H3 H 0.6896 0.0380 1.0067 0.056 Uiso 1 1 calc R . .
C4 C 0.6611(7) -0.1309(10) 0.9193(8) 0.054(2) Uani 1 1 d . . .
H4 H 0.7256 -0.1283 0.9646 0.064 Uiso 1 1 calc R . .
C5 C 0.5883(8) -0.2334(9) 0.8279(9) 0.057(2) Uani 1 1 d . . .
H5 H 0.6034 -0.3001 0.8119 0.069 Uiso 1 1 calc R . .
C6 C 0.4915(7) -0.2392(7) 0.7582(7) 0.0428(18) Uani 1 1 d . . .
H6 H 0.4434 -0.3090 0.6956 0.051 Uiso 1 1 calc R . .
C7 C 0.2020(6) -0.1945(6) 0.7453(5) 0.0360(16) Uani 1 1 d . . .
C8 C 0.1518(8) -0.1116(9) 0.7766(7) 0.049(2) Uani 1 1 d . . .
H8 H 0.1880 -0.0344 0.7711 0.059 Uiso 1 1 calc R . .
C9 C 0.0486(8) -0.1471(10) 0.8153(9) 0.065(3) Uani 1 1 d . . .
H9 H 0.0154 -0.0950 0.8349 0.078 Uiso 1 1 calc R . .
C10 C -0.0029(9) -0.2667(10) 0.8229(8) 0.078(4) Uani 1 1 d . . .
H10 H -0.0692 -0.2917 0.8505 0.094 Uiso 1 1 calc R . .
C11 C 0.0407(9) -0.3394(10) 0.7926(9) 0.076(3) Uani 1 1 d . . .
H11 H 0.0039 -0.4169 0.7973 0.091 Uiso 1 1 calc R . .
C12 C 0.1417(8) -0.3069(8) 0.7525(7) 0.052(2) Uani 1 1 d . . .
H12 H 0.1685 -0.3642 0.7300 0.062 Uiso 1 1 calc R . .
C13 C 0.4345(5) 0.2435(5) 0.7399(5) 0.0234(12) Uani 1 1 d . . .
C14 C 0.4102(6) 0.3261(6) 0.7038(5) 0.0268(13) Uani 1 1 d . . .
H14 H 0.4177 0.3302 0.6346 0.032 Uiso 1 1 calc R . .
C15 C 0.3747(6) 0.4028(6) 0.7704(5) 0.0306(14) Uani 1 1 d . . .
H15 H 0.3592 0.4576 0.7449 0.037 Uiso 1 1 calc R . .
C16 C 0.3618(5) 0.3989(6) 0.8749(5) 0.0271(13) Uani 1 1 d . . .
C17 C 0.3926(5) 0.3199(6) 0.9113(5) 0.0275(14) Uani 1 1 d . . .
H17 H 0.3917 0.3203 0.9828 0.033 Uiso 1 1 calc R . .
C18 C 0.4248(6) 0.2406(6) 0.8440(5) 0.0278(13) Uani 1 1 d . . .
H18 H 0.4399 0.1853 0.8692 0.033 Uiso 1 1 calc R . .
C19 C 0.3149(7) 0.5695(7) 0.9138(6) 0.0391(17) Uani 1 1 d . . .
H19A H 0.3945 0.6281 0.9192 0.059 Uiso 1 1 calc R . .
H19B H 0.2835 0.6075 0.9662 0.059 Uiso 1 1 calc R . .
H19C H 0.2648 0.5410 0.8400 0.059 Uiso 1 1 calc R . .
C20 C 0.2990(7) 0.4555(7) 1.0412(6) 0.0375(16) Uani 1 1 d . . .
H20A H 0.2570 0.3701 1.0314 0.056 Uiso 1 1 calc R . .
H20B H 0.2525 0.4947 1.0658 0.056 Uiso 1 1 calc R . .
H20C H 0.3749 0.4936 1.0957 0.056 Uiso 1 1 calc R . .
C21 C 0.3233(5) 0.0462(5) 0.4962(5) 0.0219(12) Uani 1 1 d . . .
C22 C 0.3383(6) 0.0509(5) 0.3938(5) 0.0263(13) Uani 1 1 d . . .
H22 H 0.4150 0.0861 0.3851 0.032 Uiso 1 1 calc R . .
C23 C 0.2410(6) 0.0041(6) 0.3054(5) 0.0290(14) Uani 1 1 d . . .
H23 H 0.2524 0.0053 0.2364 0.035 Uiso 1 1 calc R . .
C24 C 0.1252(6) -0.0453(7) 0.3160(6) 0.0356(16) Uani 1 1 d . . .
C25 C 0.1091(6) -0.0487(7) 0.4207(6) 0.0357(16) Uani 1 1 d . . .
H25 H 0.0325 -0.0796 0.4303 0.043 Uiso 1 1 calc R . .
C26 C 0.2071(6) -0.0059(6) 0.5087(6) 0.0316(14) Uani 1 1 d . . .
H26 H 0.1963 -0.0114 0.5769 0.038 Uiso 1 1 calc R . .
C27 C 0.0440(7) -0.1033(9) 0.1155(7) 0.057(2) Uani 1 1 d . . .
H27A H 0.0751 -0.0251 0.1063 0.085 Uiso 1 1 calc R . .
H27B H -0.0319 -0.1587 0.0615 0.085 Uiso 1 1 calc R . .
H27C H 0.0989 -0.1359 0.1054 0.085 Uiso 1 1 calc R . .
C28 C -0.0906(7) -0.1343(12) 0.2401(8) 0.080(4) Uani 1 1 d . . .
H28A H -0.1057 -0.1977 0.2709 0.119 Uiso 1 1 calc R . .
H28B H -0.1474 -0.1671 0.1689 0.119 Uiso 1 1 calc R . .
H28C H -0.0983 -0.0687 0.2889 0.119 Uiso 1 1 calc R . .
C29 C 0.7201(6) 0.4711(6) 0.5425(6) 0.0322(14) Uani 1 1 d . . .
C30 C 0.8227(8) 0.5406(8) 0.5168(8) 0.053(2) Uani 1 1 d . . .
H30 H 0.8728 0.5074 0.4977 0.063 Uiso 1 1 calc R . .
C31 C 0.8521(9) 0.6577(8) 0.5190(9) 0.061(3) Uani 1 1 d . . .
H31 H 0.9220 0.7024 0.5023 0.073 Uiso 1 1 calc R . .
C32 C 0.7789(7) 0.7095(6) 0.5457(6) 0.0360(16) Uani 1 1 d . . .
H32 H 0.7963 0.7866 0.5432 0.043 Uiso 1 1 calc R . .
C33 C 0.6805(7) 0.6444(8) 0.5759(9) 0.059(3) Uani 1 1 d . . .
H33 H 0.6322 0.6793 0.5973 0.071 Uiso 1 1 calc R . .
C34 C 0.6514(7) 0.5280(7) 0.5749(9) 0.056(3) Uani 1 1 d . . .
H34 H 0.5842 0.4862 0.5965 0.067 Uiso 1 1 calc R . .
C35 C 0.8048(6) 0.3311(6) 0.6599(6) 0.0308(14) Uani 1 1 d . . .
C36 C 0.9119(7) 0.3378(9) 0.6396(6) 0.052(2) Uani 1 1 d . . .
H36 H 0.9206 0.3281 0.5682 0.062 Uiso 1 1 calc R . .
C37 C 1.0043(7) 0.3585(11) 0.7226(8) 0.067(3) Uani 1 1 d . . .
H37 H 1.0756 0.3647 0.7080 0.080 Uiso 1 1 calc R . .
C38 C 0.9906(7) 0.3699(9) 0.8276(7) 0.055(2) Uani 1 1 d . . .
H38 H 1.0538 0.3846 0.8837 0.066 Uiso 1 1 calc R . .
C39 C 0.8859(6) 0.3601(7) 0.8521(6) 0.0429(19) Uani 1 1 d . . .
H39 H 0.8775 0.3664 0.9232 0.051 Uiso 1 1 calc R . .
C40 C 0.7932(6) 0.3404(7) 0.7676(6) 0.0372(16) Uani 1 1 d . . .
H40 H 0.7218 0.3332 0.7828 0.045 Uiso 1 1 calc R . .
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'
Te Te -0.5308 1.6751 '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
_geom_angle_publ_flag
O2 Te1 O3 170.63(17) . . ?
O2 Te1 C13 85.3(2) . . ?
O3 Te1 C13 87.4(2) . . ?
O2 Te1 C21 89.0(2) . . ?
O3 Te1 C21 86.1(2) . . ?
C13 Te1 C21 97.8(2) . . ?
O2 Si1 O1 112.9(3) . . ?
O2 Si1 C7 105.9(3) . . ?
O1 Si1 C7 108.9(3) . . ?
O2 Si1 C1 109.5(3) . . ?
O1 Si1 C1 108.0(3) . . ?
C7 Si1 C1 111.7(3) . . ?
O3 Si2 O1 112.8(2) . 2_656 ?
O3 Si2 C35 111.6(3) . . ?
O1 Si2 C35 106.2(3) 2_656 . ?
O3 Si2 C29 109.3(3) . . ?
O1 Si2 C29 107.5(3) 2_656 . ?
C35 Si2 C29 109.3(3) . . ?
Si1 O1 Si2 164.2(3) . 2_656 ?
Si1 O2 Te1 138.3(3) . . ?
Si2 O3 Te1 134.0(3) . . ?
C24 N1 C28 120.5(7) . . ?
C24 N1 C27 120.2(6) . . ?
C28 N1 C27 118.8(6) . . ?
C16 N2 C20 120.4(6) . . ?
C16 N2 C19 120.5(6) . . ?
C20 N2 C19 117.8(6) . . ?
C2 C1 C6 117.2(6) . . ?
C2 C1 Si1 120.4(5) . . ?
C6 C1 Si1 122.4(5) . . ?
C3 C2 C1 122.5(8) . . ?
C3 C2 H2 118.7 . . ?
C1 C2 H2 118.7 . . ?
C4 C3 C2 118.9(8) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C5 C4 C3 120.5(7) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.8(8) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 120.1(8) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C12 C7 C8 115.9(7) . . ?
C12 C7 Si1 125.7(6) . . ?
C8 C7 Si1 118.3(6) . . ?
C9 C8 C7 120.7(9) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 117.3(9) . . ?
C8 C9 H9 121.3 . . ?
C10 C9 H9 121.3 . . ?
C11 C10 C9 121.1(9) . . ?
C11 C10 H10 119.4 . . ?
C9 C10 H10 119.4 . . ?
C10 C11 C12 122.5(11) . . ?
C10 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C7 C12 C11 122.4(9) . . ?
C7 C12 H12 118.8 . . ?
C11 C12 H12 118.8 . . ?
C18 C13 C14 118.7(5) . . ?
C18 C13 Te1 121.4(4) . . ?
C14 C13 Te1 119.8(5) . . ?
C13 C14 C15 120.7(6) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
C14 C15 C16 121.3(6) . . ?
C14 C15 H15 119.3 . . ?
C16 C15 H15 119.3 . . ?
N2 C16 C17 121.4(6) . . ?
N2 C16 C15 121.9(6) . . ?
C17 C16 C15 116.7(6) . . ?
C18 C17 C16 122.1(6) . . ?
C18 C17 H17 118.9 . . ?
C16 C17 H17 118.9 . . ?
C13 C18 C17 120.3(6) . . ?
C13 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
N2 C19 H19A 109.5 . . ?
N2 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
N2 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N2 C20 H20A 109.5 . . ?
N2 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N2 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C22 C21 C26 119.4(6) . . ?
C22 C21 Te1 120.3(4) . . ?
C26 C21 Te1 120.3(5) . . ?
C23 C22 C21 120.2(6) . . ?
C23 C22 H22 119.9 . . ?
C21 C22 H22 119.9 . . ?
C22 C23 C24 121.6(6) . . ?
C22 C23 H23 119.2 . . ?
C24 C23 H23 119.2 . . ?
N1 C24 C23 120.8(6) . . ?
N1 C24 C25 120.6(6) . . ?
C23 C24 C25 118.6(6) . . ?
C26 C25 C24 119.8(6) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C21 120.4(6) . . ?
C25 C26 H26 119.8 . . ?
C21 C26 H26 119.8 . . ?
N1 C27 H27A 109.5 . . ?
N1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N1 C28 H28A 109.5 . . ?
N1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C34 116.3(7) . . ?
C30 C29 Si2 121.3(5) . . ?
C34 C29 Si2 122.1(5) . . ?
C31 C30 C29 121.6(7) . . ?
C31 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
C30 C31 C32 120.8(7) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C33 C32 C31 118.3(7) . . ?
C33 C32 H32 120.8 . . ?
C31 C32 H32 120.8 . . ?
C32 C33 C34 121.0(7) . . ?
C32 C33 H33 119.5 . . ?
C34 C33 H33 119.5 . . ?
C33 C34 C29 121.8(7) . . ?
C33 C34 H34 119.1 . . ?
C29 C34 H34 119.1 . . ?
C36 C35 C40 117.4(6) . . ?
C36 C35 Si2 120.2(6) . . ?
C40 C35 Si2 122.3(5) . . ?
C37 C36 C35 121.4(8) . . ?
C37 C36 H36 119.3 . . ?
C35 C36 H36 119.3 . . ?
C36 C37 C38 119.5(8) . . ?
C36 C37 H37 120.3 . . ?
C38 C37 H37 120.3 . . ?
C37 C38 C39 121.9(8) . . ?
C37 C38 H38 119.1 . . ?
C39 C38 H38 119.1 . . ?
C38 C39 C40 118.3(7) . . ?
C38 C39 H39 120.9 . . ?
C40 C39 H39 120.9 . . ?
C39 C40 C35 121.5(6) . . ?
C39 C40 H40 119.3 . . ?
C35 C40 H40 119.3 . . ?
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
Te1 O2 2.064(4) . ?
Te1 O3 2.072(4) . ?
Te1 C13 2.096(5) . ?
Te1 C21 2.103(6) . ?
Si1 O2 1.602(5) . ?
Si1 O1 1.617(5) . ?
Si1 C7 1.865(7) . ?
Si1 C1 1.878(7) . ?
Si2 O3 1.611(4) . ?
Si2 O1 1.630(5) 2_656 ?
Si2 C35 1.874(7) . ?
Si2 C29 1.876(7) . ?
O1 Si2 1.630(5) 2_656 ?
N1 C24 1.371(9) . ?
N1 C28 1.439(9) . ?
N1 C27 1.463(10) . ?
N2 C16 1.376(8) . ?
N2 C20 1.432(9) . ?
N2 C19 1.439(9) . ?
C1 C2 1.393(10) . ?
C1 C6 1.399(10) . ?
C2 C3 1.385(10) . ?
C2 H2 0.9300 . ?
C3 C4 1.371(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.367(14) . ?
C4 H4 0.9300 . ?
C5 C6 1.396(11) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.359(11) . ?
C7 C8 1.453(11) . ?
C8 C9 1.413(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.432(16) . ?
C9 H9 0.9300 . ?
C10 C11 1.275(16) . ?
C10 H10 0.9300 . ?
C11 C12 1.398(12) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C18 1.384(9) . ?
C13 C14 1.391(9) . ?
C14 C15 1.394(8) . ?
C14 H14 0.9300 . ?
C15 C16 1.400(9) . ?
C15 H15 0.9300 . ?
C16 C17 1.393(9) . ?
C17 C18 1.392(8) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C22 1.382(9) . ?
C21 C26 1.406(8) . ?
C22 C23 1.366(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.389(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.412(10) . ?
C25 C26 1.377(9) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.389(10) . ?
C29 C34 1.395(9) . ?
C30 C31 1.379(11) . ?
C30 H30 0.9300 . ?
C31 C32 1.384(10) . ?
C31 H31 0.9300 . ?
C32 C33 1.365(11) . ?
C32 H32 0.9300 . ?
C33 C34 1.376(11) . ?
C33 H33 0.9300 . ?
C34 H34 0.9300 . ?
C35 C36 1.400(10) . ?
C35 C40 1.405(10) . ?
C36 C37 1.372(12) . ?
C36 H36 0.9300 . ?
C37 C38 1.375(13) . ?
C37 H37 0.9300 . ?
C38 C39 1.378(11) . ?
C38 H38 0.9300 . ?
C39 C40 1.391(10) . ?
C39 H39 0.9300 . ?
C40 H40 0.9300 . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 101481505
