#------------------------------------------------------------------------------
#$Date: 2021-03-10 12:44:13 +0200 (Wed, 10 Mar 2021) $
#$Revision: 262972 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/09/1560999.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_1560999
loop_
_publ_author_name
'Li, Qi'
'Guo, Tiantian'
'Lv, Xin'
'Lin, Yifang'
'Dai, Zhihui'
'Fang, Min'
'Bao, Jianchun'
'Wu, Yong'
_publ_section_title
;
 Two Ni(II) semiconducting metal-organic frameworks based on the
 tetrakis(4-carboxyphenyl)silane and an imidazole ligand: Syntheses,
 characterization, water stability and photoelectric properties
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              100
_journal_page_last               108
_journal_paper_doi               10.1016/j.jssc.2018.05.010
_journal_volume                  265
_journal_year                    2018
_chemical_formula_moiety         'C56 H46 N8 Ni2 O8 Si'
_chemical_formula_sum            'C56 H46 N8 Ni2 O8 Si'
_chemical_formula_weight         1104.52
_space_group_crystal_system      orthorhombic
_space_group_IT_number           70
_space_group_name_Hall           '-F 2uv 2vw'
_space_group_name_H-M_alt        'F d d d :2'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   16.693(6)
_cell_length_b                   21.059(7)
_cell_length_c                   89.25(3)
_cell_measurement_reflns_used    9985
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.28
_cell_measurement_theta_min      2.23
_cell_volume                     31375(19)
_computing_cell_refinement       'SAINT V8.38A (Brucker, 2015)'
_computing_data_reduction        'SAINT V8.38A (Brucker, 2015)'
_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    'XT (Sheldrick, 2015)'
_diffrn_ambient_temperature      296.15
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       107
_diffrn_reflns_limit_l_min       -107
_diffrn_reflns_number            117248
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.560
_diffrn_reflns_theta_min         1.573
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.537
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6878
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    0.935
_exptl_crystal_description       diamond-like
_exptl_crystal_F_000             9152
_refine_diff_density_max         0.353
_refine_diff_density_min         -0.287
_refine_diff_density_rms         0.048
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         7303
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.1076
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0444P)²+150.1678P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1406
_refine_ls_wR_factor_ref         0.1652
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                5013
_reflns_number_total             7375
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            JSSC-2018-265-100.cif
_cod_data_source_block           mo_1_collect_0m_sq
_cod_original_cell_volume        31376(18)
_cod_original_sg_symbol_H-M      'F d d d'
_cod_database_code               1560999
_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.
;
_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:
 C22(H22A,H22B)
2.b Aromatic/amide H refined with riding coordinates:
 C13(H13), C4(H4), C3(H3), C14(H14), C17(H17), C18(H18), C7(H7), C11(H11),
 C12(H12), C8(H8), C26(H26), C27(H27), C25(H25), C24(H24), C21(H21)
2.c Idealised Me refined as rotating group:
 C28(H28A,H28B,H28C), C23(H23A,H23B,H23C)
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+3/4, -y+3/4, z'
'-x+3/4, y, -z+3/4'
'x, -y+3/4, -z+3/4'
'x, y+1/2, z+1/2'
'-x+3/4, -y+5/4, z+1/2'
'-x+3/4, y+1/2, -z+5/4'
'x, -y+5/4, -z+5/4'
'x+1/2, y, z+1/2'
'-x+5/4, -y+3/4, z+1/2'
'-x+5/4, y, -z+5/4'
'x+1/2, -y+3/4, -z+5/4'
'x+1/2, y+1/2, z'
'-x+5/4, -y+5/4, z'
'-x+5/4, y+1/2, -z+3/4'
'x+1/2, -y+5/4, -z+3/4'
'-x, -y, -z'
'x-3/4, y-3/4, -z'
'x-3/4, -y, z-3/4'
'-x, y-3/4, z-3/4'
'-x, -y+1/2, -z+1/2'
'x-3/4, y-1/4, -z+1/2'
'x-3/4, -y+1/2, z-1/4'
'-x, y-1/4, z-1/4'
'-x+1/2, -y, -z+1/2'
'x-1/4, y-3/4, -z+1/2'
'x-1/4, -y, z-1/4'
'-x+1/2, y-3/4, z-1/4'
'-x+1/2, -y+1/2, -z'
'x-1/4, y-1/4, -z'
'x-1/4, -y+1/2, z-3/4'
'-x+1/2, y-1/4, z-3/4'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.8750 0.3750 0.50874(2) 0.0638(2) Uani 1 2 d S T P . .
Ni2 Ni 0.6250 0.1250 0.37809(2) 0.0948(3) Uani 1 2 d S T P . .
Si1 Si 0.6250 0.6250 0.56878(2) 0.0593(4) Uani 1 2 d S T P . .
O1 O 0.84164(17) 0.46780(11) 0.51469(3) 0.0682(7) Uani 1 1 d . . . . .
O2 O 0.78832(19) 0.38572(11) 0.52632(3) 0.0768(8) Uani 1 1 d . . . . .
O3 O 0.8900(2) 0.80546(18) 0.61020(3) 0.1033(11) Uani 1 1 d . . . . .
N1 N 0.7885(2) 0.36256(15) 0.49253(3) 0.0702(9) Uani 1 1 d . . . . .
N2 N 0.7399(2) 0.34069(15) 0.47029(3) 0.0712(9) Uani 1 1 d . . . . .
O4 O 0.7790(2) 0.81815(17) 0.62291(3) 0.1065(12) Uani 1 1 d . . . . .
C5 C 0.6824(2) 0.57007(16) 0.55626(4) 0.0565(9) Uani 1 1 d . . . . .
C1 C 0.7977(3) 0.44522(17) 0.52495(4) 0.0653(10) Uani 1 1 d . . . . .
C2 C 0.7578(2) 0.48865(15) 0.53576(4) 0.0569(9) Uani 1 1 d . . . . .
C15 C 0.7879(3) 0.32050(18) 0.48151(4) 0.0670(10) Uani 1 1 d . . . . .
C13 C 0.6774(3) 0.50459(17) 0.55766(4) 0.0702(11) Uani 1 1 d . . . . .
H13 H 0.6484 0.4873 0.5656 0.084 Uiso 1 1 calc R . . . .
C4 C 0.7278(3) 0.59313(17) 0.54440(4) 0.0726(11) Uani 1 1 d . . . . .
H4 H 0.7335 0.6368 0.5432 0.087 Uiso 1 1 calc R . . . .
C3 C 0.7644(3) 0.55319(17) 0.53432(4) 0.0673(10) Uani 1 1 d . . . . .
H3 H 0.7939 0.5702 0.5265 0.081 Uiso 1 1 calc R . . . .
C14 C 0.7146(3) 0.46460(18) 0.54758(4) 0.0725(11) Uani 1 1 d . . . . .
H14 H 0.7103 0.4209 0.5488 0.087 Uiso 1 1 calc R . . . .
C6 C 0.6891(3) 0.67403(18) 0.58157(4) 0.0664(10) Uani 1 1 d . . . . .
N4 N 0.6835(3) 0.1804(2) 0.39322(4) 0.1043(14) Uani 1 1 d . . . . .
C9 C 0.7739(3) 0.7502(2) 0.60168(4) 0.0794(12) Uani 1 1 d . . . . .
N3 N 0.7227(3) 0.2321(2) 0.41315(4) 0.1087(14) Uani 1 1 d . . . . .
C17 C 0.7109(3) 0.2498(2) 0.45420(4) 0.0762(12) Uani 1 1 d . . . . .
H17 H 0.7000 0.2250 0.4626 0.091 Uiso 1 1 calc R . . . .
C18 C 0.7071(3) 0.2241(2) 0.44009(5) 0.0888(14) Uani 1 1 d . . . . .
H18 H 0.6937 0.1815 0.4389 0.107 Uiso 1 1 calc R . . . .
C16 C 0.7311(3) 0.3127(2) 0.45571(4) 0.0780(12) Uani 1 1 d . . . . .
C28 C 0.8328(3) 0.2604(2) 0.48135(5) 0.0953(15) Uani 1 1 d . . . . .
H28A H 0.8670 0.2584 0.4900 0.143 Uiso 1 1 calc GR . . . .
H28B H 0.8647 0.2581 0.4724 0.143 Uiso 1 1 calc GR . . . .
H28C H 0.7959 0.2254 0.4816 0.143 Uiso 1 1 calc GR . . . .
C7 C 0.7708(3) 0.6824(2) 0.58016(4) 0.0768(12) Uani 1 1 d . . . . .
H7 H 0.7981 0.6622 0.5724 0.092 Uiso 1 1 calc R . . . .
C11 C 0.6921(3) 0.7431(2) 0.60322(5) 0.0896(14) Uani 1 1 d . . . . .
H11 H 0.6650 0.7640 0.6109 0.107 Uiso 1 1 calc R . . . .
C10 C 0.8171(4) 0.7933(2) 0.61212(4) 0.0933(16) Uani 1 1 d . . . . .
C12 C 0.6512(3) 0.7051(2) 0.59341(5) 0.0866(13) Uani 1 1 d . . . . .
H12 H 0.5963 0.6997 0.5947 0.104 Uiso 1 1 calc R . . . .
C19 C 0.7228(4) 0.2604(3) 0.42788(5) 0.0990(16) Uani 1 1 d . . . . .
C20 C 0.6600(3) 0.2075(3) 0.40586(5) 0.0925(15) Uani 1 1 d . . . . .
C8 C 0.8130(3) 0.7209(2) 0.59016(5) 0.0895(14) Uani 1 1 d . . . . .
H8 H 0.8679 0.7265 0.5890 0.107 Uiso 1 1 calc R . . . .
C26 C 0.7069(3) 0.3983(2) 0.47468(5) 0.0923(15) Uani 1 1 d . . . . .
H26 H 0.6714 0.4234 0.4693 0.111 Uiso 1 1 calc R . . . .
C27 C 0.7369(3) 0.4104(2) 0.48836(5) 0.0881(14) Uani 1 1 d . . . . .
H27 H 0.7245 0.4458 0.4942 0.106 Uiso 1 1 calc R . . . .
C23 C 0.5760(3) 0.2133(3) 0.41092(6) 0.124(2) Uani 1 1 d . . . . .
H23A H 0.5407 0.2061 0.4026 0.186 Uiso 1 1 calc GR . . . .
H23B H 0.5671 0.2551 0.4149 0.186 Uiso 1 1 calc GR . . . .
H23C H 0.5656 0.1823 0.4186 0.186 Uiso 1 1 calc GR . . . .
C25 C 0.7470(4) 0.3497(3) 0.44339(5) 0.117(2) Uani 1 1 d . . . . .
H25 H 0.7614 0.3921 0.4445 0.140 Uiso 1 1 calc R . . . .
C24 C 0.7411(4) 0.3227(3) 0.42917(5) 0.132(2) Uani 1 1 d . . . . .
H24 H 0.7497 0.3472 0.4207 0.158 Uiso 1 1 calc R . . . .
C21 C 0.7648(4) 0.1873(4) 0.39248(7) 0.148(3) Uani 1 1 d . . . . .
H21 H 0.7976 0.1725 0.3848 0.178 Uiso 1 1 calc R . . . .
C22 C 0.7892(4) 0.2191(4) 0.40476(7) 0.160(3) Uani 1 1 d . . . . .
H22A H 0.8158 0.2582 0.4019 0.192 Uiso 1 1 calc R . . . .
H22B H 0.8265 0.1935 0.4105 0.192 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'
Ni Ni 0.3393 1.1124 '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 Ni1 O1 150.74(13) . 2_655
O1 Ni1 O2 95.29(10) 2_655 .
O1 Ni1 O2 62.53(10) 2_655 2_655
O1 Ni1 O2 62.53(10) . .
O1 Ni1 O2 95.28(10) . 2_655
O1 Ni1 C1 31.28(11) 2_655 2_655
O1 Ni1 C1 123.71(12) 2_655 .
O1 Ni1 C1 31.28(11) . .
O1 Ni1 C1 123.71(12) . 2_655
O2 Ni1 O2 86.07(16) . 2_655
O2 Ni1 C1 31.32(11) 2_655 2_655
O2 Ni1 C1 89.26(12) . 2_655
O2 Ni1 C1 31.31(11) . .
O2 Ni1 C1 89.26(12) 2_655 .
N1 Ni1 O1 104.17(11) 2_655 .
N1 Ni1 O1 104.17(11) . 2_655
N1 Ni1 O1 96.30(11) 2_655 2_655
N1 Ni1 O1 96.31(11) . .
N1 Ni1 O2 93.10(12) 2_655 2_655
N1 Ni1 O2 93.10(12) . .
N1 Ni1 O2 166.47(11) 2_655 .
N1 Ni1 O2 166.47(11) . 2_655
N1 Ni1 N1 90.82(19) 2_655 .
N1 Ni1 C1 97.05(13) . .
N1 Ni1 C1 135.25(13) 2_655 .
N1 Ni1 C1 97.04(13) 2_655 2_655
N1 Ni1 C1 135.25(13) . 2_655
C1 Ni1 C1 107.23(18) 2_655 .
O3 Ni2 O3 85.86(19) 28_655 27_565
O3 Ni2 C10 90.00(14) 27_565 28_655
O3 Ni2 C10 30.97(14) 28_655 28_655
O3 Ni2 C10 30.97(14) 27_565 27_565
O3 Ni2 C10 90.00(14) 28_655 27_565
O4 Ni2 O3 97.84(14) 28_655 27_565
O4 Ni2 O3 62.18(13) 27_565 27_565
O4 Ni2 O3 97.84(14) 27_565 28_655
O4 Ni2 O3 62.18(13) 28_655 28_655
O4 Ni2 O4 153.93(16) 27_565 28_655
O4 Ni2 C10 126.15(16) 28_655 27_565
O4 Ni2 C10 126.15(16) 27_565 28_655
O4 Ni2 C10 31.34(15) 27_565 27_565
O4 Ni2 C10 31.34(15) 28_655 28_655
N4 Ni2 O3 157.85(16) 14_545 27_565
N4 Ni2 O3 157.85(16) . 28_655
N4 Ni2 O3 92.61(16) . 27_565
N4 Ni2 O3 92.61(16) 14_545 28_655
N4 Ni2 O4 96.27(16) . 28_655
N4 Ni2 O4 100.96(16) . 27_565
N4 Ni2 O4 100.96(16) 14_545 28_655
N4 Ni2 O4 96.27(16) 14_545 27_565
N4 Ni2 N4 96.9(3) 14_545 .
N4 Ni2 C10 100.01(18) 14_545 28_655
N4 Ni2 C10 127.10(19) 14_545 27_565
N4 Ni2 C10 100.01(18) . 27_565
N4 Ni2 C10 127.10(19) . 28_655
C10 Ni2 C10 108.3(2) 28_655 27_565
C5 Si1 C5 106.7(2) . 14
C5 Si1 C6 114.34(18) 14 14
C5 Si1 C6 108.38(16) . 14
C5 Si1 C6 114.34(18) . .
C5 Si1 C6 108.37(16) 14 .
C6 Si1 C6 104.9(2) . 14
C1 O1 Ni1 89.3(2) . .
C1 O2 Ni1 87.2(2) . .
C10 O3 Ni2 85.7(3) . 19_666
C15 N1 Ni1 127.7(3) . .
C15 N1 C27 106.5(3) . .
C27 N1 Ni1 122.4(3) . .
C15 N2 C16 127.1(3) . .
C15 N2 C26 107.5(3) . .
C26 N2 C16 125.1(4) . .
C10 O4 Ni2 91.1(3) . 19_666
C13 C5 Si1 122.0(3) . .
C13 C5 C4 116.7(3) . .
C4 C5 Si1 121.2(3) . .
O1 C1 Ni1 59.46(19) . .
O1 C1 O2 120.8(3) . .
O1 C1 C2 119.9(3) . .
O2 C1 Ni1 61.5(2) . .
O2 C1 C2 119.3(4) . .
C2 C1 Ni1 174.3(3) . .
C3 C2 C1 120.9(3) . .
C3 C2 C14 118.7(3) . .
C14 C2 C1 120.4(3) . .
N1 C15 N2 110.2(3) . .
N1 C15 C28 125.4(4) . .
N2 C15 C28 124.4(3) . .
C5 C13 H13 119.3 . .
C14 C13 C5 121.4(4) . .
C14 C13 H13 119.3 . .
C5 C4 H4 119.1 . .
C3 C4 C5 121.8(3) . .
C3 C4 H4 119.1 . .
C2 C3 C4 120.7(3) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C2 C14 C13 120.7(3) . .
C2 C14 H14 119.6 . .
C13 C14 H14 119.6 . .
C7 C6 Si1 125.3(3) . .
C7 C6 C12 117.2(4) . .
C12 C6 Si1 117.5(3) . .
C20 N4 Ni2 132.1(4) . .
C20 N4 C21 106.8(5) . .
C21 N4 Ni2 120.4(4) . .
C11 C9 C10 118.8(4) . .
C8 C9 C11 120.0(4) . .
C8 C9 C10 121.1(5) . .
C20 N3 C19 127.1(5) . .
C20 N3 C22 107.0(4) . .
C22 N3 C19 125.6(5) . .
C18 C17 H17 120.6 . .
C18 C17 C16 118.8(4) . .
C16 C17 H17 120.6 . .
C17 C18 H18 119.8 . .
C19 C18 C17 120.4(5) . .
C19 C18 H18 119.8 . .
C17 C16 N2 120.7(4) . .
C17 C16 C25 121.1(4) . .
C25 C16 N2 118.2(4) . .
C15 C28 H28A 109.5 . .
C15 C28 H28B 109.5 . .
C15 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C6 C7 H7 119.5 . .
C6 C7 C8 121.0(4) . .
C8 C7 H7 119.5 . .
C9 C11 H11 120.2 . .
C12 C11 C9 119.5(4) . .
C12 C11 H11 120.2 . .
O3 C10 Ni2 63.3(2) . 19_666
O3 C10 O4 120.4(4) . .
O3 C10 C9 120.5(5) . .
O4 C10 Ni2 57.5(2) . 19_666
O4 C10 C9 119.0(5) . .
C9 C10 Ni2 172.2(4) . 19_666
C6 C12 H12 118.9 . .
C11 C12 C6 122.2(5) . .
C11 C12 H12 118.9 . .
C18 C19 N3 119.9(5) . .
C24 C19 N3 118.6(5) . .
C24 C19 C18 121.5(4) . .
N4 C20 N3 110.5(5) . .
N4 C20 C23 125.2(5) . .
N3 C20 C23 124.3(4) . .
C9 C8 C7 120.1(5) . .
C9 C8 H8 119.9 . .
C7 C8 H8 119.9 . .
N2 C26 H26 127.0 . .
C27 C26 N2 105.9(4) . .
C27 C26 H26 127.0 . .
N1 C27 H27 125.1 . .
C26 C27 N1 109.9(4) . .
C26 C27 H27 125.1 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C16 C25 H25 120.6 . .
C16 C25 C24 118.8(5) . .
C24 C25 H25 120.6 . .
C19 C24 C25 119.4(5) . .
C19 C24 H24 120.3 . .
C25 C24 H24 120.3 . .
N4 C21 H21 125.9 . .
C22 C21 N4 108.3(5) . .
C22 C21 H21 125.9 . .
N3 C22 H22A 110.2 . .
N3 C22 H22B 110.2 . .
C21 C22 N3 107.5(6) . .
C21 C22 H22A 110.2 . .
C21 C22 H22B 110.2 . .
H22A C22 H22B 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 O1 2.100(2) .
Ni1 O1 2.100(2) 2_655
Ni1 O2 2.146(3) 2_655
Ni1 O2 2.146(3) .
Ni1 N1 2.061(3) .
Ni1 N1 2.061(3) 2_655
Ni1 C1 2.438(4) .
Ni1 C1 2.438(4) 2_655
Ni2 O3 2.182(3) 28_655
Ni2 O3 2.182(3) 27_565
Ni2 O4 2.054(3) 27_565
Ni2 O4 2.054(3) 28_655
Ni2 N4 2.034(4) 14_545
Ni2 N4 2.034(5) .
Ni2 C10 2.434(5) 28_655
Ni2 C10 2.434(5) 27_565
Si1 C5 1.872(3) 14
Si1 C5 1.872(3) .
Si1 C6 1.874(4) .
Si1 C6 1.874(4) 14
O1 C1 1.266(5) .
O2 C1 1.269(4) .
O3 Ni2 2.181(3) 19_666
O3 C10 1.256(6) .
N1 C15 1.324(4) .
N1 C27 1.377(5) .
N2 C15 1.352(5) .
N2 C16 1.436(5) .
N2 C26 1.389(5) .
O4 Ni2 2.054(3) 19_666
O4 C10 1.267(6) .
C5 C13 1.387(5) .
C5 C4 1.389(5) .
C1 C2 1.487(5) .
C2 C3 1.370(5) .
C2 C14 1.375(5) .
C15 C28 1.471(5) .
C13 H13 0.9300 .
C13 C14 1.379(5) .
C4 H4 0.9300 .
C4 C3 1.375(5) .
C3 H3 0.9300 .
C14 H14 0.9300 .
C6 C7 1.381(6) .
C6 C12 1.393(5) .
N4 C20 1.324(5) .
N4 C21 1.366(7) .
C9 C11 1.380(6) .
C9 C10 1.488(6) .
C9 C8 1.365(6) .
N3 C19 1.444(5) .
N3 C20 1.337(6) .
N3 C22 1.366(7) .
C17 H17 0.9300 .
C17 C18 1.372(5) .
C17 C16 1.374(6) .
C18 H18 0.9300 .
C18 C19 1.358(6) .
C16 C25 1.374(6) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C7 H7 0.9300 .
C7 C8 1.396(6) .
C11 H11 0.9300 .
C11 C12 1.370(6) .
C10 Ni2 2.434(5) 19_666
C12 H12 0.9300 .
C19 C24 1.351(7) .
C20 C23 1.478(7) .
C8 H8 0.9300 .
C26 H26 0.9300 .
C26 C27 1.344(6) .
C27 H27 0.9300 .
C23 H23A 0.9600 .
C23 H23B 0.9600 .
C23 H23C 0.9600 .
C25 H25 0.9300 .
C25 C24 1.395(7) .
C24 H24 0.9300 .
C21 H21 0.9300 .
C21 C22 1.347(8) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
