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#$Date: 2025-08-22 01:24:23 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/11/81/7118154.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_7118154
loop_
_publ_author_name
'Yi-Fei Deng'
'Tian Han'
'Zhenxing Wang'
'Zhongwen Ouyang'
'Bing Yin'
'Zhiping Zheng'
'J. Krzystek'
'Yan-Zhen Zheng'
_publ_section_title
;
 Uniaxial magnetic anisotropy of square-planar chromium(II) complexes
 revealed by magnetic and HF-EPR studies
;
_journal_name_full               Chem.Commun.
_journal_page_first              17688
_journal_paper_doi               10.1039/C5cc07025B
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C22 H46 Cr N4 Si4'
_chemical_formula_weight         530.99
_chemical_name_systematic        '[CrII(N(TMS)2)2(py)2]'
_chemical_properties_physical    Air-sensitive
_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
_audit_update_record
;
2015-11-11 deposited with the CCDC.
2015-11-12 downloaded from the CCDC.
;
_cell_angle_alpha                99.28(2)
_cell_angle_beta                 95.81(2)
_cell_angle_gamma                115.672(18)
_cell_formula_units_Z            2
_cell_length_a                   10.972(16)
_cell_length_b                   11.699(16)
_cell_length_c                   13.519(19)
_cell_measurement_temperature    296(2)
_cell_volume                     1515(4)
_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      296(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0351
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16163
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.552
_exptl_absorpt_correction_T_max  0.847
_exptl_absorpt_correction_T_min  0.725
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.164
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             572
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.3
_refine_diff_density_max         0.220
_refine_diff_density_min         -0.233
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     292
_refine_ls_number_reflns         5293
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0538
_refine_ls_R_factor_gt           0.0342
_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)+(0.0432P)²+0.5224P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0841
_refine_ls_wR_factor_ref         0.0922
_reflns_number_gt                4011
_reflns_number_total             5293
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc07025b2.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7118154
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
Cr1 Cr 0.95756(4) 0.72098(3) 0.74428(3) 0.03264(11) Uani 1 1 d . . .
N1 N 0.76908(19) 0.58274(17) 0.75653(14) 0.0364(4) Uani 1 1 d . . .
N2 N 0.8713(2) 0.84680(19) 0.72540(15) 0.0408(5) Uani 1 1 d . . .
N3 N 1.14693(19) 0.85976(18) 0.73517(15) 0.0401(5) Uani 1 1 d . . .
N4 N 1.0398(2) 0.59232(19) 0.76384(15) 0.0405(5) Uani 1 1 d . . .
Si1 Si 0.70501(7) 0.60909(7) 0.86120(5) 0.04562(19) Uani 1 1 d . . .
Si2 Si 0.68375(8) 0.44698(7) 0.66301(6) 0.04818(19) Uani 1 1 d . . .
Si3 Si 1.27389(7) 0.92775(8) 0.83968(6) 0.0519(2) Uani 1 1 d . . .
Si4 Si 1.17074(8) 0.90439(7) 0.62374(6) 0.0488(2) Uani 1 1 d . . .
C1 C 0.5686(4) 0.6593(4) 0.8412(3) 0.0873(11) Uani 1 1 d . . .
H1A H 0.6038 0.7388 0.8179 0.131 Uiso 1 1 calc R . .
H1B H 0.5385 0.6729 0.9044 0.131 Uiso 1 1 calc R . .
H1C H 0.4921 0.5924 0.7910 0.131 Uiso 1 1 calc R . .
C2 C 0.8396(3) 0.7420(3) 0.9640(2) 0.0638(8) Uani 1 1 d . . .
H2A H 0.9151 0.7228 0.9789 0.096 Uiso 1 1 calc R . .
H2B H 0.8016 0.7498 1.0242 0.096 Uiso 1 1 calc R . .
H2C H 0.8717 0.8225 0.9421 0.096 Uiso 1 1 calc R . .
C3 C 0.6365(4) 0.4670(3) 0.9198(3) 0.0830(11) Uani 1 1 d . . .
H3A H 0.5564 0.3974 0.8744 0.124 Uiso 1 1 calc R . .
H3B H 0.6119 0.4911 0.9832 0.124 Uiso 1 1 calc R . .
H3C H 0.7055 0.4386 0.9323 0.124 Uiso 1 1 calc R . .
C4 C 0.4974(3) 0.3984(4) 0.6277(3) 0.0929(12) Uani 1 1 d . . .
H4A H 0.4551 0.3814 0.6860 0.139 Uiso 1 1 calc R . .
H4B H 0.4547 0.3212 0.5736 0.139 Uiso 1 1 calc R . .
H4C H 0.4859 0.4675 0.6053 0.139 Uiso 1 1 calc R . .
C5 C 0.7514(4) 0.4685(3) 0.5435(2) 0.0712(9) Uani 1 1 d . . .
H5A H 0.7408 0.5378 0.5208 0.107 Uiso 1 1 calc R . .
H5B H 0.7013 0.3892 0.4919 0.107 Uiso 1 1 calc R . .
H5C H 0.8473 0.4895 0.5560 0.107 Uiso 1 1 calc R . .
C6 C 0.6941(4) 0.3015(3) 0.6904(3) 0.0813(10) Uani 1 1 d . . .
H6A H 0.7874 0.3149 0.6953 0.122 Uiso 1 1 calc R . .
H6B H 0.6353 0.2270 0.6364 0.122 Uiso 1 1 calc R . .
H6C H 0.6648 0.2869 0.7538 0.122 Uiso 1 1 calc R . .
C7 C 0.7555(3) 0.8082(3) 0.6610(2) 0.0536(7) Uani 1 1 d . . .
H7 H 0.7130 0.7233 0.6216 0.064 Uiso 1 1 calc R . .
C8 C 0.6952(3) 0.8850(3) 0.6489(3) 0.0702(9) Uani 1 1 d . . .
H8 H 0.6144 0.8545 0.6011 0.084 Uiso 1 1 calc R . .
C9 C 0.7538(4) 1.0062(4) 0.7072(3) 0.0773(10) Uani 1 1 d . . .
H9 H 0.7138 1.0610 0.7009 0.093 Uiso 1 1 calc R . .
C10 C 0.8714(4) 1.0479(3) 0.7750(3) 0.0741(9) Uani 1 1 d . . .
H10 H 0.9127 1.1312 0.8171 0.089 Uiso 1 1 calc R . .
C11 C 0.9284(3) 0.9665(3) 0.7810(2) 0.0556(7) Uani 1 1 d . . .
H11 H 1.0113 0.9966 0.8262 0.067 Uiso 1 1 calc R . .
C12 C 1.1212(3) 0.5730(3) 0.7055(2) 0.0497(6) Uani 1 1 d . . .
H12 H 1.1439 0.6193 0.6547 0.060 Uiso 1 1 calc R . .
C13 C 1.1732(3) 0.4892(3) 0.7158(2) 0.0643(8) Uani 1 1 d . . .
H13 H 1.2275 0.4757 0.6713 0.077 Uiso 1 1 calc R . .
C14 C 1.1455(4) 0.4256(3) 0.7910(3) 0.0766(10) Uani 1 1 d . . .
H14 H 1.1824 0.3693 0.8008 0.092 Uiso 1 1 calc R . .
C15 C 1.0632(4) 0.4446(4) 0.8524(3) 0.0785(10) Uani 1 1 d . . .
H15 H 1.0423 0.4014 0.9051 0.094 Uiso 1 1 calc R . .
C16 C 1.0119(3) 0.5269(3) 0.8362(2) 0.0587(7) Uani 1 1 d . . .
H16 H 0.9538 0.5382 0.8780 0.070 Uiso 1 1 calc R . .
C17 C 1.2064(4) 0.9002(4) 0.9577(2) 0.0880(11) Uani 1 1 d . . .
H17A H 1.1402 0.9329 0.9635 0.132 Uiso 1 1 calc R . .
H17B H 1.2808 0.9448 1.0156 0.132 Uiso 1 1 calc R . .
H17C H 1.1629 0.8085 0.9555 0.132 Uiso 1 1 calc R . .
C18 C 1.3732(4) 1.1067(3) 0.8607(3) 0.0900(11) Uani 1 1 d . . .
H18A H 1.4160 1.1280 0.8032 0.135 Uiso 1 1 calc R . .
H18B H 1.4428 1.1397 0.9214 0.135 Uiso 1 1 calc R . .
H18C H 1.3122 1.1453 0.8684 0.135 Uiso 1 1 calc R . .
C19 C 1.4009(4) 0.8652(4) 0.8391(3) 0.1038(14) Uani 1 1 d . . .
H19A H 1.3567 0.7745 0.8400 0.156 Uiso 1 1 calc R . .
H19B H 1.4728 0.9125 0.8984 0.156 Uiso 1 1 calc R . .
H19C H 1.4396 0.8759 0.7787 0.156 Uiso 1 1 calc R . .
C20 C 1.1605(4) 1.0565(3) 0.6170(3) 0.0793(10) Uani 1 1 d . . .
H20A H 1.0698 1.0451 0.6235 0.119 Uiso 1 1 calc R . .
H20B H 1.1792 1.0775 0.5526 0.119 Uiso 1 1 calc R . .
H20C H 1.2272 1.1261 0.6715 0.119 Uiso 1 1 calc R . .
C21 C 1.3398(3) 0.9288(4) 0.5909(3) 0.0794(10) Uani 1 1 d . . .
H21A H 1.4129 1.0000 0.6407 0.119 Uiso 1 1 calc R . .
H21B H 1.3443 0.9482 0.5246 0.119 Uiso 1 1 calc R . .
H21C H 1.3492 0.8509 0.5903 0.119 Uiso 1 1 calc R . .
C22 C 1.0396(3) 0.7781(3) 0.5151(2) 0.0685(8) Uani 1 1 d . . .
H22A H 1.0438 0.6974 0.5122 0.103 Uiso 1 1 calc R . .
H22B H 1.0575 0.8053 0.4525 0.103 Uiso 1 1 calc R . .
H22C H 0.9496 0.7663 0.5242 0.103 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'
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'
Cr Cr 0.3209 0.6236 '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'
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
N3 Cr1 N1 178.85(8) . .
N3 Cr1 N4 90.33(14) . .
N1 Cr1 N4 89.40(14) . .
N3 Cr1 N2 90.90(14) . .
N1 Cr1 N2 89.37(14) . .
N4 Cr1 N2 178.76(8) . .
Si2 N1 Si1 122.23(13) . .
Si2 N1 Cr1 119.30(12) . .
Si1 N1 Cr1 118.47(12) . .
C11 N2 C7 117.1(2) . .
C11 N2 Cr1 121.0(2) . .
C7 N2 Cr1 121.88(19) . .
Si4 N3 Si3 122.04(14) . .
Si4 N3 Cr1 118.71(11) . .
Si3 N3 Cr1 119.24(13) . .
C12 N4 C16 116.8(2) . .
C12 N4 Cr1 122.26(18) . .
C16 N4 Cr1 120.97(18) . .
N1 Si1 C1 114.87(15) . .
N1 Si1 C3 113.36(15) . .
C1 Si1 C3 107.1(2) . .
N1 Si1 C2 111.58(15) . .
C1 Si1 C2 104.47(19) . .
C3 Si1 C2 104.62(18) . .
N1 Si2 C6 115.07(16) . .
N1 Si2 C5 111.48(15) . .
C6 Si2 C5 104.80(16) . .
N1 Si2 C4 113.41(14) . .
C6 Si2 C4 105.86(19) . .
C5 Si2 C4 105.39(18) . .
N3 Si3 C19 114.42(16) . .
N3 Si3 C17 112.00(17) . .
C19 Si3 C17 105.2(2) . .
N3 Si3 C18 113.34(15) . .
C19 Si3 C18 106.1(2) . .
C17 Si3 C18 105.01(18) . .
N3 Si4 C20 114.47(13) . .
N3 Si4 C22 111.50(15) . .
C20 Si4 C22 105.68(18) . .
N3 Si4 C21 113.60(14) . .
C20 Si4 C21 105.71(17) . .
C22 Si4 C21 105.11(17) . .
Si1 C1 H1A 109.5 . .
Si1 C1 H1B 109.5 . .
H1A C1 H1B 109.5 . .
Si1 C1 H1C 109.5 . .
H1A C1 H1C 109.5 . .
H1B C1 H1C 109.5 . .
Si1 C2 H2A 109.5 . .
Si1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
Si1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
Si1 C3 H3A 109.5 . .
Si1 C3 H3B 109.5 . .
H3A C3 H3B 109.5 . .
Si1 C3 H3C 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
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 H5A 109.5 . .
Si2 C5 H5B 109.5 . .
H5A C5 H5B 109.5 . .
Si2 C5 H5C 109.5 . .
H5A C5 H5C 109.5 . .
H5B C5 H5C 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 . .
N2 C7 C8 123.5(3) . .
N2 C7 H7 118.2 . .
C8 C7 H7 118.2 . .
C9 C8 C7 118.6(3) . .
C9 C8 H8 120.7 . .
C7 C8 H8 120.7 . .
C8 C9 C10 119.3(3) . .
C8 C9 H9 120.3 . .
C10 C9 H9 120.3 . .
C9 C10 C11 118.9(3) . .
C9 C10 H10 120.5 . .
C11 C10 H10 120.5 . .
N2 C11 C10 122.5(3) . .
N2 C11 H11 118.7 . .
C10 C11 H11 118.7 . .
N4 C12 C13 123.1(3) . .
N4 C12 H12 118.4 . .
C13 C12 H12 118.4 . .
C14 C13 C12 119.0(3) . .
C14 C13 H13 120.5 . .
C12 C13 H13 120.5 . .
C13 C14 C15 119.0(3) . .
C13 C14 H14 120.5 . .
C15 C14 H14 120.5 . .
C16 C15 C14 119.0(3) . .
C16 C15 H15 120.5 . .
C14 C15 H15 120.5 . .
N4 C16 C15 123.2(3) . .
N4 C16 H16 118.4 . .
C15 C16 H16 118.4 . .
Si3 C17 H17A 109.5 . .
Si3 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Si3 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si3 C18 H18A 109.5 . .
Si3 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si3 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
Si3 C19 H19A 109.5 . .
Si3 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si3 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si4 C20 H20A 109.5 . .
Si4 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
Si4 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
Si4 C21 H21A 109.5 . .
Si4 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
Si4 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
Si4 C22 H22A 109.5 . .
Si4 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
Si4 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 N3 2.040(3) .
Cr1 N1 2.044(3) .
Cr1 N4 2.099(3) .
Cr1 N2 2.099(3) .
N1 Si2 1.680(3) .
N1 Si1 1.685(3) .
N2 C11 1.313(4) .
N2 C7 1.315(4) .
N3 Si4 1.681(3) .
N3 Si3 1.688(3) .
N4 C12 1.316(3) .
N4 C16 1.318(3) .
Si1 C1 1.841(4) .
Si1 C3 1.849(4) .
Si1 C2 1.851(3) .
Si2 C6 1.846(4) .
Si2 C5 1.854(4) .
Si2 C4 1.855(4) .
Si3 C19 1.833(4) .
Si3 C17 1.843(4) .
Si3 C18 1.849(4) .
Si4 C20 1.847(4) .
Si4 C22 1.855(3) .
Si4 C21 1.862(4) .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C2 H2A 0.9600 .
C2 H2B 0.9600 .
C2 H2C 0.9600 .
C3 H3A 0.9600 .
C3 H3B 0.9600 .
C3 H3C 0.9600 .
C4 H4A 0.9600 .
C4 H4B 0.9600 .
C4 H4C 0.9600 .
C5 H5A 0.9600 .
C5 H5B 0.9600 .
C5 H5C 0.9600 .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.346(4) .
C7 H7 0.9300 .
C8 C9 1.338(5) .
C8 H8 0.9300 .
C9 C10 1.347(5) .
C9 H9 0.9300 .
C10 C11 1.355(4) .
C10 H10 0.9300 .
C11 H11 0.9300 .
C12 C13 1.349(4) .
C12 H12 0.9300 .
C13 C14 1.337(5) .
C13 H13 0.9300 .
C14 C15 1.350(5) .
C14 H14 0.9300 .
C15 C16 1.343(4) .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
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 H21A 0.9600 .
C21 H21B 0.9600 .
C21 H21C 0.9600 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
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
N3 Cr1 N1 Si2 -145(4) . . . .
N4 Cr1 N1 Si2 -68.94(14) . . . .
N2 Cr1 N1 Si2 111.21(14) . . . .
N3 Cr1 N1 Si1 34(4) . . . .
N4 Cr1 N1 Si1 110.74(14) . . . .
N2 Cr1 N1 Si1 -69.12(14) . . . .
N3 Cr1 N2 C11 -49.7(2) . . . .
N1 Cr1 N2 C11 129.1(2) . . . .
N4 Cr1 N2 C11 122(4) . . . .
N3 Cr1 N2 C7 133.1(2) . . . .
N1 Cr1 N2 C7 -48.0(2) . . . .
N4 Cr1 N2 C7 -55(4) . . . .
N1 Cr1 N3 Si4 -170(4) . . . .
N4 Cr1 N3 Si4 113.41(12) . . . .
N2 Cr1 N3 Si4 -66.76(12) . . . .
N1 Cr1 N3 Si3 9(4) . . . .
N4 Cr1 N3 Si3 -67.49(12) . . . .
N2 Cr1 N3 Si3 112.34(12) . . . .
N3 Cr1 N4 C12 -47.0(2) . . . .
N1 Cr1 N4 C12 134.1(2) . . . .
N2 Cr1 N4 C12 141(4) . . . .
N3 Cr1 N4 C16 132.9(2) . . . .
N1 Cr1 N4 C16 -46.0(2) . . . .
N2 Cr1 N4 C16 -39(4) . . . .
Si2 N1 Si1 C1 -76.7(2) . . . .
Cr1 N1 Si1 C1 103.6(2) . . . .
Si2 N1 Si1 C3 46.8(2) . . . .
Cr1 N1 Si1 C3 -132.84(17) . . . .
Si2 N1 Si1 C2 164.63(14) . . . .
Cr1 N1 Si1 C2 -15.03(17) . . . .
Si1 N1 Si2 C6 -78.6(2) . . . .
Cr1 N1 Si2 C6 101.02(19) . . . .
Si1 N1 Si2 C5 162.20(15) . . . .
Cr1 N1 Si2 C5 -18.14(17) . . . .
Si1 N1 Si2 C4 43.4(2) . . . .
Cr1 N1 Si2 C4 -136.90(18) . . . .
Si4 N3 Si3 C19 -78.5(2) . . . .
Cr1 N3 Si3 C19 102.4(2) . . . .
Si4 N3 Si3 C17 161.84(17) . . . .
Cr1 N3 Si3 C17 -17.2(2) . . . .
Si4 N3 Si3 C18 43.3(2) . . . .
Cr1 N3 Si3 C18 -135.81(16) . . . .
Si3 N3 Si4 C20 -80.1(2) . . . .
Cr1 N3 Si4 C20 99.01(19) . . . .
Si3 N3 Si4 C22 160.06(15) . . . .
Cr1 N3 Si4 C22 -20.88(17) . . . .
Si3 N3 Si4 C21 41.5(2) . . . .
Cr1 N3 Si4 C21 -139.43(17) . . . .
C11 N2 C7 C8 0.8(4) . . . .
Cr1 N2 C7 C8 178.1(2) . . . .
N2 C7 C8 C9 -1.7(5) . . . .
C7 C8 C9 C10 0.6(5) . . . .
C8 C9 C10 C11 1.2(5) . . . .
C7 N2 C11 C10 1.2(4) . . . .
Cr1 N2 C11 C10 -176.1(2) . . . .
C9 C10 C11 N2 -2.2(5) . . . .
C16 N4 C12 C13 1.2(4) . . . .
Cr1 N4 C12 C13 -178.9(2) . . . .
N4 C12 C13 C14 -2.5(5) . . . .
C12 C13 C14 C15 1.9(5) . . . .
C13 C14 C15 C16 -0.1(6) . . . .
C12 N4 C16 C15 0.6(4) . . . .
Cr1 N4 C16 C15 -179.2(3) . . . .
C14 C15 C16 N4 -1.2(5) . . . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139186662
