#------------------------------------------------------------------------------
#$Date: 2025-08-20 21:19:29 +0200 (Wed 20 de Aug de 2025) $
#$Revision: 301836 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/36/4303636.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_4303636
loop_
_publ_author_name
'Alexander J. Blake'
'Nicola L. Gillibrand'
'Graeme J. Moxey'
'Deborah L. Kays'
_publ_section_title
;
Differing Coordination Environments in Transition Metal Derivatives of
1,8-Bis(silylamido)naphthalene Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10837
_journal_page_last               10844
_journal_paper_doi               10.1021/ic901745v
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C32 H48 N4 Si4 Zn2, C6 H14'
_chemical_formula_sum            'C38 H62 N4 Si4 Zn2'
_chemical_formula_weight         818.02
_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
'methyl H atoms from delta-F; others placed geometrically'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'enCIFer editing of SHELXL97 CIF output'
_cell_angle_alpha                104.502(2)
_cell_angle_beta                 102.791(2)
_cell_angle_gamma                92.593(2)
_cell_formula_units_Z            1
_cell_length_a                   9.1441(7)
_cell_length_b                   9.9967(7)
_cell_length_c                   12.2605(9)
_cell_measurement_reflns_used    4119
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.3
_cell_volume                     1052.07(13)
_computing_cell_refinement       'Bruker SAINT version 6.36A (Bruker, 2000)'
_computing_data_collection       'Bruker SMART version 5.625 (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT; Bruker SHELXTL (Bruker, 2001)'
_computing_publication_material  'enCIFer(Allen et al.,2004);PLATON(Spek,2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.039
_diffrn_reflns_av_sigmaI/netI    0.023
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9239
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.30
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.285
_exptl_absorpt_correction_T_max  0.391
_exptl_absorpt_correction_T_min  0.334
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Bruker SHELXTL; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.291
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             434
_exptl_crystal_size_max          0.81
_exptl_crystal_size_mid          0.77
_exptl_crystal_size_min          0.67
_refine_diff_density_max         0.81
_refine_diff_density_min         -0.44
_refine_diff_density_rms         0.06
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.05
_refine_ls_hydrogen_treatment    'rigid rotor; riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         4693
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.05
_refine_ls_R_factor_all          0.0311
_refine_ls_R_factor_gt           0.0285
_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)+(0.049P)²+0.202P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0771
_refine_ls_wR_factor_ref         0.0781
_reflns_number_gt                4279
_reflns_number_total             4693
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic901745v_si_002_1.cif
_cod_data_source_block           1
_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_cell_volume        1052.1(2)
_cod_database_code               4303636
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
Zn1 Zn 0.46922(2) 0.557794(18) 0.103366(15) 0.01818(7) Uani 1 1 d . . .
Si2 Si 0.36825(5) 0.75417(5) 0.30422(4) 0.02220(11) Uani 1 1 d . . .
Si3 Si 0.61913(5) 0.28813(5) 0.09805(4) 0.02195(11) Uani 1 1 d . . .
N2 N 0.50039(15) 0.72107(14) 0.22217(12) 0.0200(3) Uani 1 1 d . . .
N3 N 0.47128(15) 0.36365(13) 0.02336(11) 0.0181(3) Uani 1 1 d . . .
C1 C 0.63285(18) 0.80655(17) 0.23782(14) 0.0202(3) Uani 1 1 d . . .
C2 C 0.6934(2) 0.89689(18) 0.34711(15) 0.0260(4) Uani 1 1 d . . .
H2 H 0.6414 0.8979 0.4063 0.031 Uiso 1 1 calc R . .
C3 C 0.8263(2) 0.98634(19) 0.37508(16) 0.0305(4) Uani 1 1 d . . .
H3 H 0.8598 1.0487 0.4503 0.037 Uiso 1 1 calc R . .
C4 C 0.1895(2) 0.64743(19) 0.21210(16) 0.0296(4) Uani 1 1 d . . .
H4A H 0.1595 0.6753 0.1398 0.044 Uiso 1 1 calc R . .
H4B H 0.1096 0.6623 0.2542 0.044 Uiso 1 1 calc R . .
H4C H 0.2057 0.5489 0.1940 0.044 Uiso 1 1 calc R . .
C5 C 0.3324(2) 0.9412(2) 0.33616(17) 0.0324(4) Uani 1 1 d . . .
H5C H 0.3109 0.9697 0.2639 0.049 Uiso 1 1 calc R . .
H5B H 0.4218 0.9984 0.3900 0.049 Uiso 1 1 calc R . .
H5A H 0.2459 0.9534 0.3713 0.049 Uiso 1 1 calc R . .
C6 C 0.4167(2) 0.7011(2) 0.44262(16) 0.0369(5) Uani 1 1 d . . .
H6A H 0.5100 0.7556 0.4928 0.055 Uiso 1 1 calc R . .
H6B H 0.4309 0.6021 0.4254 0.055 Uiso 1 1 calc R . .
H6C H 0.3346 0.7178 0.4823 0.055 Uiso 1 1 calc R . .
C7 C 0.32992(18) 0.27576(16) -0.02709(14) 0.0192(3) Uani 1 1 d . . .
C8 C 0.2364(2) 0.27013(18) 0.04619(15) 0.0250(4) Uani 1 1 d . . .
H8 H 0.2671 0.3250 0.1244 0.030 Uiso 1 1 calc R . .
C9 C 0.0978(2) 0.18674(19) 0.01006(17) 0.0287(4) Uani 1 1 d . . .
H9 H 0.0353 0.1869 0.0625 0.034 Uiso 1 1 calc R . .
C10 C 0.0544(2) 0.10593(19) -0.10078(17) 0.0276(4) Uani 1 1 d . . .
H10 H -0.0386 0.0481 -0.1252 0.033 Uiso 1 1 calc R . .
C11 C 0.14469(18) 0.10594(17) -0.18091(15) 0.0232(3) Uani 1 1 d . . .
C12 C 0.28557(18) 0.19457(16) -0.14770(14) 0.0188(3) Uani 1 1 d . . .
C13 C 0.0929(2) 0.01654(19) -0.29413(17) 0.0292(4) Uani 1 1 d . . .
H13 H 0.0010 -0.0419 -0.3137 0.035 Uiso 1 1 calc R . .
C14 C 0.7830(2) 0.4263(2) 0.14611(18) 0.0356(4) Uani 1 1 d . . .
H14A H 0.8047 0.4503 0.0781 0.053 Uiso 1 1 calc R . .
H14B H 0.8717 0.3919 0.1870 0.053 Uiso 1 1 calc R . .
H14C H 0.7583 0.5091 0.1983 0.053 Uiso 1 1 calc R . .
C15 C 0.6617(2) 0.12917(19) -0.00146(16) 0.0292(4) Uani 1 1 d . . .
H15A H 0.5672 0.0728 -0.0470 0.044 Uiso 1 1 calc R . .
H15B H 0.7232 0.0750 0.0441 0.044 Uiso 1 1 calc R . .
H15C H 0.7171 0.1559 -0.0539 0.044 Uiso 1 1 calc R . .
C16 C 0.5747(3) 0.2449(2) 0.22720(17) 0.0375(5) Uani 1 1 d . . .
H16A H 0.4849 0.1772 0.2022 0.056 Uiso 1 1 calc R . .
H16B H 0.5556 0.3295 0.2806 0.056 Uiso 1 1 calc R . .
H16C H 0.6602 0.2052 0.2667 0.056 Uiso 1 1 calc R . .
C1S C -0.1683(3) -0.3312(3) -0.3648(2) 0.0557(6) Uani 1 1 d . . .
H1SC H -0.2590 -0.2830 -0.3622 0.084 Uiso 1 1 calc R . .
H1SB H -0.0817 -0.2739 -0.3074 0.084 Uiso 1 1 calc R . .
H1SA H -0.1831 -0.4204 -0.3471 0.084 Uiso 1 1 calc R . .
C2S C -0.1396(3) -0.3561(3) -0.4841(2) 0.0606(7) Uani 1 1 d . . .
H2SB H -0.1329 -0.2654 -0.5024 0.073 Uiso 1 1 calc R . .
H2SA H -0.2284 -0.4140 -0.5404 0.073 Uiso 1 1 calc R . .
C3S C 0.0016(3) -0.4261(3) -0.5037(3) 0.0580(7) Uani 1 1 d . . .
H3SB H 0.0146 -0.4240 -0.5813 0.070 Uiso 1 1 calc R . .
H3SA H 0.0905 -0.3712 -0.4454 0.070 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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
N2 Zn1 N3 160.28(6) . . ?
N2 Zn1 N3 99.07(6) . 2_665 ?
N3 Zn1 N3 95.42(5) . 2_665 ?
N2 Zn1 Zn1 143.00(4) . 2_665 ?
N3 Zn1 Zn1 49.61(4) . 2_665 ?
N3 Zn1 Zn1 45.81(4) 2_665 2_665 ?
N2 Si2 C6 113.89(9) . . ?
N2 Si2 C5 111.58(8) . . ?
C6 Si2 C5 109.63(10) . . ?
N2 Si2 C4 105.71(7) . . ?
C6 Si2 C4 107.69(9) . . ?
C5 Si2 C4 108.05(9) . . ?
N3 Si3 C15 110.26(8) . . ?
N3 Si3 C16 112.23(8) . . ?
C15 Si3 C16 109.77(9) . . ?
N3 Si3 C14 104.03(8) . . ?
C15 Si3 C14 110.77(9) . . ?
C16 Si3 C14 109.65(10) . . ?
C1 N2 Si2 125.64(11) . . ?
C1 N2 Zn1 115.69(11) . . ?
Si2 N2 Zn1 118.66(7) . . ?
C7 N3 Si3 115.68(10) . . ?
C7 N3 Zn1 119.33(10) . . ?
Si3 N3 Zn1 111.50(7) . . ?
C7 N3 Zn1 108.60(10) . 2_665 ?
Si3 N3 Zn1 113.00(7) . 2_665 ?
Zn1 N3 Zn1 84.58(5) . 2_665 ?
C2 C1 N2 118.06(15) . . ?
C2 C1 C12 117.51(15) . 2_665 ?
N2 C1 C12 124.42(14) . 2_665 ?
C1 C2 C3 123.96(17) . . ?
C1 C2 H2 118.0 . . ?
C3 C2 H2 118.0 . . ?
C13 C3 C2 119.61(17) 2_665 . ?
C13 C3 H3 120.2 2_665 . ?
C2 C3 H3 120.2 . . ?
Si2 C4 H4A 109.5 . . ?
Si2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 H5C 109.5 . . ?
Si2 C5 H5B 109.5 . . ?
H5C C5 H5B 109.5 . . ?
Si2 C5 H5A 109.5 . . ?
H5C C5 H5A 109.5 . . ?
H5B C5 H5A 109.5 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C8 C7 N3 116.48(14) . . ?
C8 C7 C12 120.11(15) . . ?
N3 C7 C12 123.40(14) . . ?
C7 C8 C9 122.75(16) . . ?
C7 C8 H8 118.6 . . ?
C9 C8 H8 118.6 . . ?
C10 C9 C8 119.04(16) . . ?
C10 C9 H9 120.5 . . ?
C8 C9 H9 120.5 . . ?
C9 C10 C11 121.39(16) . . ?
C9 C10 H10 119.3 . . ?
C11 C10 H10 119.3 . . ?
C13 C11 C10 117.91(16) . . ?
C13 C11 C12 121.13(16) . . ?
C10 C11 C12 120.96(16) . . ?
C11 C12 C7 115.66(15) . . ?
C11 C12 C1 117.17(14) . 2_665 ?
C7 C12 C1 127.17(14) . 2_665 ?
C3 C13 C11 120.49(16) 2_665 . ?
C3 C13 H13 119.8 2_665 . ?
C11 C13 H13 119.8 . . ?
Si3 C14 H14A 109.5 . . ?
Si3 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
Si3 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
Si3 C15 H15A 109.5 . . ?
Si3 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
Si3 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
Si3 C16 H16A 109.5 . . ?
Si3 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
Si3 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
H1SC C1S H1SB 109.5 . . ?
C2S C1S H1SA 109.5 . . ?
H1SC C1S H1SA 109.5 . . ?
H1SB C1S H1SA 109.5 . . ?
C1S C2S C3S 117.1(2) . . ?
C1S C2S H2SB 108.0 . . ?
C3S C2S H2SB 108.0 . . ?
C1S C2S H2SA 108.0 . . ?
C3S C2S H2SA 108.0 . . ?
H2SB C2S H2SA 107.3 . . ?
C3S C3S C2S 114.6(3) 2_544 . ?
C3S C3S H3SB 108.6 2_544 . ?
C2S C3S H3SB 108.6 . . ?
C3S C3S H3SA 108.6 2_544 . ?
C2S C3S H3SA 108.6 . . ?
H3SB C3S H3SA 107.6 . . ?
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
Zn1 N2 1.8576(13) . ?
Zn1 N3 1.9461(13) . ?
Zn1 N3 2.0673(13) 2_665 ?
Zn1 Zn1 2.7019(4) 2_665 ?
Si2 N2 1.7289(14) . ?
Si2 C4 1.8729(19) . ?
Si2 C5 1.8714(19) . ?
Si2 C6 1.870(2) . ?
Si3 N3 1.7682(14) . ?
Si3 C14 1.8752(19) . ?
Si3 C15 1.8603(19) . ?
Si3 C16 1.8632(19) . ?
N2 C1 1.398(2) . ?
N3 C7 1.448(2) . ?
N3 Zn1 2.0673(13) 2_665 ?
C1 C2 1.392(2) . ?
C1 C12 1.462(2) 2_665 ?
C2 C3 1.399(2) . ?
C2 H2 0.9500 . ?
C3 C13 1.358(3) 2_665 ?
C3 H3 0.9500 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5C 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5A 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 C8 1.379(2) . ?
C7 C12 1.454(2) . ?
C8 C9 1.403(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.356(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.416(3) . ?
C10 H10 0.9500 . ?
C11 C13 1.414(2) . ?
C11 C12 1.447(2) . ?
C12 C1 1.462(2) 2_665 ?
C13 C3 1.358(3) 2_665 ?
C13 H13 0.9500 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C1S C2S 1.504(4) . ?
C1S H1SC 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SA 0.9800 . ?
C2S C3S 1.533(4) . ?
C2S H2SB 0.9900 . ?
C2S H2SA 0.9900 . ?
C3S C3S 1.502(5) 2_544 ?
C3S H3SB 0.9900 . ?
C3S H3SA 0.9900 . ?
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
C6 Si2 N2 C1 -83.31(16) . . . . ?
C5 Si2 N2 C1 41.45(16) . . . . ?
C4 Si2 N2 C1 158.67(14) . . . . ?
C6 Si2 N2 Zn1 95.80(11) . . . . ?
C5 Si2 N2 Zn1 -139.43(9) . . . . ?
C4 Si2 N2 Zn1 -22.22(11) . . . . ?
N3 Zn1 N2 C1 92.9(2) . . . . ?
N3 Zn1 N2 C1 -43.89(12) 2_665 . . . ?
Zn1 Zn1 N2 C1 -27.85(16) 2_665 . . . ?
N3 Zn1 N2 Si2 -86.28(18) . . . . ?
N3 Zn1 N2 Si2 136.90(8) 2_665 . . . ?
Zn1 Zn1 N2 Si2 152.95(4) 2_665 . . . ?
C15 Si3 N3 C7 59.25(13) . . . . ?
C16 Si3 N3 C7 -63.47(14) . . . . ?
C14 Si3 N3 C7 178.07(12) . . . . ?
C15 Si3 N3 Zn1 -160.07(8) . . . . ?
C16 Si3 N3 Zn1 77.21(10) . . . . ?
C14 Si3 N3 Zn1 -41.26(10) . . . . ?
C15 Si3 N3 Zn1 -66.81(9) . . . 2_665 ?
C16 Si3 N3 Zn1 170.47(9) . . . 2_665 ?
C14 Si3 N3 Zn1 52.00(10) . . . 2_665 ?
N2 Zn1 N3 C7 114.44(18) . . . . ?
N3 Zn1 N3 C7 -108.31(12) 2_665 . . . ?
Zn1 Zn1 N3 C7 -108.31(12) 2_665 . . . ?
N2 Zn1 N3 Si3 -24.6(2) . . . . ?
N3 Zn1 N3 Si3 112.61(8) 2_665 . . . ?
Zn1 Zn1 N3 Si3 112.61(8) 2_665 . . . ?
N2 Zn1 N3 Zn1 -137.25(15) . . . 2_665 ?
N3 Zn1 N3 Zn1 0.0 2_665 . . 2_665 ?
Si2 N2 C1 C2 24.1(2) . . . . ?
Zn1 N2 C1 C2 -155.00(13) . . . . ?
Si2 N2 C1 C12 -157.31(13) . . . 2_665 ?
Zn1 N2 C1 C12 23.6(2) . . . 2_665 ?
N2 C1 C2 C3 179.00(17) . . . . ?
C12 C1 C2 C3 0.3(3) 2_665 . . . ?
C1 C2 C3 C13 -2.8(3) . . . 2_665 ?
Si3 N3 C7 C8 82.94(16) . . . . ?
Zn1 N3 C7 C8 -54.50(18) . . . . ?
Zn1 N3 C7 C8 -148.79(13) 2_665 . . . ?
Si3 N3 C7 C12 -96.21(16) . . . . ?
Zn1 N3 C7 C12 126.34(14) . . . . ?
Zn1 N3 C7 C12 32.06(17) 2_665 . . . ?
N3 C7 C8 C9 -178.37(15) . . . . ?
C12 C7 C8 C9 0.8(3) . . . . ?
C7 C8 C9 C10 1.3(3) . . . . ?
C8 C9 C10 C11 -1.1(3) . . . . ?
C9 C10 C11 C13 178.69(17) . . . . ?
C9 C10 C11 C12 -1.2(3) . . . . ?
C13 C11 C12 C7 -176.75(15) . . . . ?
C10 C11 C12 C7 3.1(2) . . . . ?
C13 C11 C12 C1 3.4(2) . . . 2_665 ?
C10 C11 C12 C1 -176.68(15) . . . 2_665 ?
C8 C7 C12 C11 -2.9(2) . . . . ?
N3 C7 C12 C11 176.19(14) . . . . ?
C8 C7 C12 C1 176.87(16) . . . 2_665 ?
N3 C7 C12 C1 -4.0(3) . . . 2_665 ?
C10 C11 C13 C3 179.03(17) . . . 2_665 ?
C12 C11 C13 C3 -1.1(3) . . . 2_665 ?
C1S C2S C3S C3S 66.3(4) . . . 2_544 ?
loop_
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1 PubChem 139127296
