#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:58:05 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180204 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/98/7109875.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_7109875
loop_
_publ_author_name
'Dao-Peng Zhang'
'Li-Fang Zhang'
'Guo-Ling Li'
'Zhong-Hai Ni'
_publ_section_title
;
 Water-controlled synthesis and single-crystal structural transformations
 of a cyanide-bridged W(IV)-Ni(II) molecular wheel complex and 3D networks
;
_journal_name_full               Chem.Commun.
_journal_page_first              9582
_journal_paper_doi               10.1039/c3cc46063k
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C38 H44 N16 Ni2 W'
_chemical_formula_weight         1026.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 119.837(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.031(2)
_cell_length_b                   30.103(5)
_cell_length_c                   13.367(2)
_cell_measurement_reflns_used    1278
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.891
_cell_measurement_theta_min      2.289
_cell_volume                     5246.5(14)
_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  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_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  0.0539
_diffrn_reflns_av_sigmaI/netI    0.0821
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            12242
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    2.937
_exptl_absorpt_correction_T_max  0.7780
_exptl_absorpt_correction_T_min  0.7014
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red-brown
_exptl_crystal_density_diffrn    1.299
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2056
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.605
_refine_diff_density_min         -1.217
_refine_diff_density_rms         0.241
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.114
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     514
_refine_ls_number_reflns         5916
_refine_ls_number_restraints     614
_refine_ls_restrained_S_all      1.227
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.0849
_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)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2290
_refine_ls_wR_factor_ref         0.2455
_reflns_number_gt                4126
_reflns_number_total             5916
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc46063k.txt
_cod_data_source_block           3
_cod_original_cell_volume        5246.8(15)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               7109875
loop_
_symmetry_equiv_pos_as_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'
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
W1 W -0.00347(13) 0.37765(5) -0.07659(13) 0.0705(6) Uani 1 1 d .
Ni1 Ni 0.0048(2) 0.53817(9) 0.0789(2) 0.0300(7) Uani 1 1 d .
Ni2 Ni 0.2155(3) 0.23227(12) 0.1102(3) 0.0503(11) Uani 1 1 d .
N1 N 0.0339(17) 0.4850(6) -0.0090(17) 0.032(5) Uani 1 1 d .
N2 N 0.100(2) 0.2779(7) -0.001(2) 0.048(6) Uani 1 1 d .
N3 N 0.340(2) 0.1923(8) 0.224(2) 0.051(7) Uani 1 1 d .
N4 N -0.0219(18) 0.5853(7) 0.1793(17) 0.039(5) Uani 1 1 d .
N5 N 0.153(2) 0.3812(8) 0.2038(19) 0.049(6) Uani 1 1 d .
N6 N -0.219(2) 0.4308(10) -0.185(4) 0.083(12) Uani 1 1 d .
N7 N 0.227(2) 0.3920(11) -0.047(2) 0.057(7) Uani 1 1 d .
N8 N -0.132(3) 0.3399(14) 0.047(3) 0.081(10) Uani 1 1 d .
N9 N 0.140(2) 0.5623(8) 0.127(2) 0.050(6) Uani 1 1 d .
N10 N 0.096(3) 0.5023(7) 0.225(2) 0.051(7) Uani 1 1 d .
N11 N -0.133(2) 0.5113(8) 0.021(2) 0.047(6) Uani 1 1 d .
H11 H -0.1391 0.4899 -0.0298 0.057 Uiso 1 1 calc R
N12 N -0.030(2) 0.5855(7) -0.044(2) 0.042(5) Uani 1 1 d .
N13 N 0.193(2) 0.1972(9) -0.024(3) 0.076(11) Uani 1 1 d .
N14 N 0.120(3) 0.1825(12) 0.107(4) 0.095(13) Uani 1 1 d .
N15 N 0.250(5) 0.2728(11) 0.243(3) 0.12(2) Uani 1 1 d .
H15 H 0.2044 0.2949 0.2049 0.143 Uiso 1 1 calc R
N16 N 0.315(3) 0.2639(11) 0.065(4) 0.090(14) Uani 1 1 d .
C1 C 0.028(2) 0.4479(9) -0.032(2) 0.036(4) Uani 1 1 d U
C2 C 0.064(2) 0.3114(9) -0.029(2) 0.041(4) Uani 1 1 d U
C3 C -0.104(2) 0.3309(8) -0.209(2) 0.036(4) Uani 1 1 d U
C4 C -0.021(2) 0.4030(8) -0.238(2) 0.032(4) Uani 1 1 d U
C5 C 0.102(2) 0.3816(8) 0.114(2) 0.037(4) Uani 1 1 d U
C6 C -0.146(2) 0.4105(8) -0.151(2) 0.035(4) Uani 1 1 d U
C7 C 0.150(3) 0.3843(9) -0.057(2) 0.039(4) Uani 1 1 d U
C8 C -0.093(2) 0.3533(10) 0.003(2) 0.045(4) Uani 1 1 d U
C9 C 0.223(3) 0.5447(10) 0.223(3) 0.060(5) Uani 1 1 d U
C10 C 0.319(3) 0.5590(15) 0.248(4) 0.081(5) Uani 1 1 d U
H10 H 0.3777 0.5482 0.3119 0.097 Uiso 1 1 d R
C11 C 0.323(4) 0.5911(19) 0.176(4) 0.091(5) Uani 1 1 d U
H11A H 0.3887 0.6002 0.1959 0.109 Uiso 1 1 d R
C12 C 0.244(3) 0.6099(12) 0.077(4) 0.071(5) Uani 1 1 d U
H12 H 0.2518 0.6315 0.0326 0.085 Uiso 1 1 d R
C13 C 0.152(3) 0.5926(11) 0.058(3) 0.058(4) Uani 1 1 d U
C14 C 0.055(3) 0.6078(9) -0.037(3) 0.049(4) Uani 1 1 d U
C15 C 0.043(3) 0.6463(10) -0.112(3) 0.059(6) Uani 1 1 d U
H15A H -0.0281 0.6501 -0.1703 0.089 Uiso 1 1 d R
H15B H 0.0827 0.6414 -0.1491 0.089 Uiso 1 1 d R
H15C H 0.0666 0.6726 -0.0657 0.089 Uiso 1 1 d R
C16 C 0.187(3) 0.5096(10) 0.285(3) 0.053(5) Uani 1 1 d U
C17 C 0.267(4) 0.4940(16) 0.396(3) 0.082(8) Uani 1 1 d U
H17A H 0.2551 0.5057 0.4555 0.122 Uiso 1 1 d R
H17B H 0.3325 0.5035 0.4092 0.122 Uiso 1 1 d R
H17C H 0.2647 0.4621 0.3974 0.122 Uiso 1 1 d R
C18 C 0.029(4) 0.4688(10) 0.271(3) 0.069(5) Uani 1 1 d U
H18A H 0.0689 0.4425 0.3097 0.083 Uiso 1 1 d R
H18B H 0.0156 0.4850 0.3245 0.083 Uiso 1 1 d R
C19 C -0.068(3) 0.4573(10) 0.172(3) 0.054(4) Uani 1 1 d U
H19A H -0.0960 0.4334 0.1965 0.065 Uiso 1 1 d R
H19B H -0.0499 0.4444 0.1178 0.065 Uiso 1 1 d R
C20 C -0.146(3) 0.4879(11) 0.112(3) 0.053(5) Uani 1 1 d U
H20A H -0.2107 0.4720 0.0754 0.063 Uiso 1 1 d R
H20B H -0.1478 0.5096 0.1641 0.063 Uiso 1 1 d R
C21 C -0.217(3) 0.5446(12) -0.048(3) 0.062(5) Uani 1 1 d U
H21A H -0.2833 0.5308 -0.0769 0.075 Uiso 1 1 d R
H21B H -0.2120 0.5695 0.0004 0.075 Uiso 1 1 d R
C22 C -0.205(3) 0.5607(12) -0.148(3) 0.063(5) Uani 1 1 d U
H22A H -0.2731 0.5692 -0.2092 0.076 Uiso 1 1 d R
H22B H -0.1830 0.5360 -0.1765 0.076 Uiso 1 1 d R
C23 C -0.132(3) 0.5990(11) -0.127(3) 0.052(5) Uani 1 1 d U
H23A H -0.1356 0.6078 -0.1988 0.062 Uiso 1 1 d R
H23B H -0.1512 0.6242 -0.0969 0.062 Uiso 1 1 d R
C24 C 0.128(3) 0.1624(12) -0.053(4) 0.079(5) Uani 1 1 d U
C25 C 0.100(3) 0.1418(14) -0.158(4) 0.083(6) Uani 1 1 d U
H25 H 0.0559 0.1177 -0.1827 0.099 Uiso 1 1 d R
C26 C 0.138(4) 0.157(2) -0.227(5) 0.105(6) Uani 1 1 d U
H26 H 0.1190 0.1430 -0.2967 0.125 Uiso 1 1 d R
C27 C 0.204(4) 0.1931(15) -0.194(4) 0.082(5) Uani 1 1 d U
H27 H 0.2302 0.2031 -0.2401 0.099 Uiso 1 1 d R
C28 C 0.231(3) 0.2132(14) -0.089(4) 0.078(5) Uani 1 1 d U
C29 C 0.087(3) 0.1561(13) 0.029(4) 0.078(6) Uani 1 1 d U
C30 C 0.047(4) 0.1104(16) 0.008(5) 0.105(10) Uani 1 1 d U
H30A H 0.0375 0.0994 -0.0641 0.157 Uiso 1 1 d R
H30B H -0.0183 0.1112 0.0052 0.157 Uiso 1 1 d R
H30C H 0.0927 0.0911 0.0693 0.157 Uiso 1 1 d R
C31 C 0.304(3) 0.2505(15) -0.021(5) 0.078(5) Uani 1 1 d U
C32 C 0.359(5) 0.270(2) -0.076(5) 0.110(9) Uani 1 1 d U
H32A H 0.3543 0.2487 -0.1319 0.164 Uiso 1 1 d R
H32B H 0.4301 0.2755 -0.0213 0.164 Uiso 1 1 d R
H32C H 0.3274 0.2974 -0.1147 0.164 Uiso 1 1 d R
C33 C 0.089(8) 0.186(4) 0.180(7) 0.195(7) Uani 1 1 d U
H33A H 0.1096 0.1590 0.2252 0.234 Uiso 1 1 d R
H33B H 0.0153 0.1846 0.1318 0.234 Uiso 1 1 d R
C34 C 0.107(10) 0.223(2) 0.263(5) 0.194(9) Uani 1 1 d U
H34A H 0.0470 0.2416 0.2288 0.233 Uiso 1 1 d R
H34B H 0.1111 0.2091 0.3302 0.233 Uiso 1 1 d R
C35 C 0.198(6) 0.252(2) 0.303(5) 0.123(8) Uani 1 1 d U
H35A H 0.2518 0.2361 0.3685 0.147 Uiso 1 1 d R
H35B H 0.1806 0.2770 0.3344 0.147 Uiso 1 1 d R
C36 C 0.346(5) 0.2992(19) 0.291(4) 0.105(8) Uani 1 1 d U
H36A H 0.3469 0.3212 0.3449 0.126 Uiso 1 1 d R
H36B H 0.4047 0.2798 0.3328 0.126 Uiso 1 1 d R
C37 C 0.350(4) 0.3203(14) 0.195(6) 0.133(6) Uani 1 1 d U
H37A H 0.3969 0.3451 0.2297 0.160 Uiso 1 1 d R
H37B H 0.2829 0.3332 0.1465 0.160 Uiso 1 1 d R
C38 C 0.381(4) 0.2989(16) 0.117(5) 0.101(7) Uani 1 1 d U
H38A H 0.3732 0.3198 0.0583 0.121 Uiso 1 1 d R
H38B H 0.4514 0.2890 0.1591 0.121 Uiso 1 1 d 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'
W W -0.8490 6.8722 '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
C6 W1 C3 77.9(10) .
C6 W1 C4 77.1(10) .
C3 W1 C4 74.2(10) .
C6 W1 C2 141.3(11) .
C3 W1 C2 71.2(10) .
C4 W1 C2 114.8(10) .
C6 W1 C1 73.0(10) .
C3 W1 C1 144.8(9) .
C4 W1 C1 80.4(9) .
C2 W1 C1 143.0(10) .
C6 W1 C7 140.8(10) .
C3 W1 C7 114.6(11) .
C4 W1 C7 71.8(10) .
C2 W1 C7 75.1(11) .
C1 W1 C7 78.8(10) .
C6 W1 C8 70.2(11) .
C3 W1 C8 80.6(11) .
C4 W1 C8 142.1(10) .
C2 W1 C8 82.0(11) .
C1 W1 C8 107.0(10) .
C7 W1 C8 145.7(10) .
C6 W1 C5 119.4(10) .
C3 W1 C5 140.6(9) .
C4 W1 C5 141.0(10) .
C2 W1 C5 75.6(9) .
C1 W1 C5 72.8(9) .
C7 W1 C5 75.6(10) .
C8 W1 C5 74.2(11) .
N9 Ni1 N11 176.1(11) .
N9 Ni1 N12 79.1(11) .
N11 Ni1 N12 99.9(10) .
N9 Ni1 N10 78.0(12) .
N11 Ni1 N10 103.1(12) .
N12 Ni1 N10 157.0(12) .
N9 Ni1 N4 92.2(10) .
N11 Ni1 N4 91.6(10) .
N12 Ni1 N4 89.5(8) .
N10 Ni1 N4 89.8(9) .
N9 Ni1 N1 89.7(9) .
N11 Ni1 N1 86.7(9) .
N12 Ni1 N1 96.8(8) .
N10 Ni1 N1 84.7(8) .
N4 Ni1 N1 173.7(8) .
N13 Ni2 N15 173(2) .
N13 Ni2 N14 77.6(19) .
N15 Ni2 N14 109(2) .
N13 Ni2 N16 79.1(18) .
N15 Ni2 N16 94(2) .
N14 Ni2 N16 156.1(19) .
N13 Ni2 N3 92.3(10) .
N15 Ni2 N3 87.8(15) .
N14 Ni2 N3 87.7(13) .
N16 Ni2 N3 87.9(12) .
N13 Ni2 N2 90.1(11) .
N15 Ni2 N2 89.2(14) .
N14 Ni2 N2 97.5(13) .
N16 Ni2 N2 87.8(12) .
N3 Ni2 N2 174.6(11) .
C1 N1 Ni1 149(2) .
C2 N2 Ni2 155(2) .
C3 N3 Ni2 169(3) 4
C4 N4 Ni1 153(2) 2_565
C13 N9 C9 122(3) .
C13 N9 Ni1 119(2) .
C9 N9 Ni1 118(2) .
C16 N10 C18 122(3) .
C16 N10 Ni1 122(2) .
C18 N10 Ni1 115(2) .
C20 N11 C21 114(3) .
C20 N11 Ni1 114(2) .
C21 N11 Ni1 111(2) .
C20 N11 H11 105.6 .
C21 N11 H11 105.6 .
Ni1 N11 H11 105.6 .
C14 N12 C23 120(3) .
C14 N12 Ni1 115(2) .
C23 N12 Ni1 125(2) .
C24 N13 C28 124(4) .
C24 N13 Ni2 118(4) .
C28 N13 Ni2 118(3) .
C29 N14 C33 125(7) .
C29 N14 Ni2 118(4) .
C33 N14 Ni2 116(7) .
C36 N15 C35 130(4) .
C36 N15 Ni2 119(4) .
C35 N15 Ni2 104(3) .
C36 N15 H15 98.9 .
C35 N15 H15 98.9 .
Ni2 N15 H15 98.9 .
C31 N16 C38 119(6) .
C31 N16 Ni2 111(3) .
C38 N16 Ni2 130(5) .
N1 C1 W1 172(2) .
N2 C2 W1 178(2) .
N3 C3 W1 176(3) 4_454
N4 C4 W1 174(2) 2_564
N5 C5 W1 176(2) .
N6 C6 W1 175(2) .
N7 C7 W1 173(3) .
N8 C8 W1 176(3) .
N9 C9 C10 117(3) .
N9 C9 C16 111(3) .
C10 C9 C16 131(3) .
C9 C10 C11 117(4) .
C9 C10 H10 121.2 .
C11 C10 H10 122.0 .
C10 C11 C12 129(4) .
C10 C11 H11A 114.8 .
C12 C11 H11A 115.7 .
C13 C12 C11 109(4) .
C13 C12 H12 125.8 .
C11 C12 H12 124.9 .
N9 C13 C12 125(3) .
N9 C13 C14 113(3) .
C12 C13 C14 121(4) .
N12 C14 C13 113(3) .
N12 C14 C15 122(3) .
C13 C14 C15 125(3) .
C14 C15 H15A 110.7 .
C14 C15 H15B 109.1 .
H15A C15 H15B 109.5 .
C14 C15 H15C 108.7 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
N10 C16 C17 134(4) .
N10 C16 C9 110(3) .
C17 C16 C9 116(4) .
C16 C17 H17A 109.6 .
C16 C17 H17B 109.8 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.0 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C19 C18 N10 108(2) .
C19 C18 H18A 111.4 .
N10 C18 H18A 111.0 .
C19 C18 H18B 108.0 .
N10 C18 H18B 109.9 .
H18A C18 H18B 108.3 .
C20 C19 C18 123(3) .
C20 C19 H19A 107.3 .
C18 C19 H19A 106.5 .
C20 C19 H19B 107.2 .
C18 C19 H19B 104.8 .
H19A C19 H19B 106.6 .
C19 C20 N11 112(3) .
C19 C20 H20A 108.3 .
N11 C20 H20A 109.1 .
C19 C20 H20B 110.2 .
N11 C20 H20B 109.2 .
H20A C20 H20B 108.0 .
C22 C21 N11 109(3) .
C22 C21 H21A 109.8 .
N11 C21 H21A 109.5 .
C22 C21 H21B 110.2 .
N11 C21 H21B 109.8 .
H21A C21 H21B 108.2 .
C21 C22 C23 118(3) .
C21 C22 H22A 107.3 .
C23 C22 H22A 108.6 .
C21 C22 H22B 108.4 .
C23 C22 H22B 106.9 .
H22A C22 H22B 107.1 .
N12 C23 C22 109(3) .
N12 C23 H23A 111.0 .
C22 C23 H23A 109.9 .
N12 C23 H23B 109.4 .
C22 C23 H23B 109.0 .
H23A C23 H23B 108.3 .
N13 C24 C25 117(5) .
N13 C24 C29 112(4) .
C25 C24 C29 130(4) .
C26 C25 C24 120(5) .
C26 C25 H25 119.5 .
C24 C25 H25 120.1 .
C25 C26 C27 121(5) .
C25 C26 H26 119.3 .
C27 C26 H26 119.5 .
C26 C27 C28 118(5) .
C26 C27 H27 120.9 .
C28 C27 H27 121.1 .
N13 C28 C27 119(4) .
N13 C28 C31 107(4) .
C27 C28 C31 134(5) .
N14 C29 C30 137(5) .
N14 C29 C24 114(4) .
C30 C29 C24 105(4) .
C29 C30 H30A 110.5 .
C29 C30 H30B 107.6 .
H30A C30 H30B 109.5 .
C29 C30 H30C 110.3 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
N16 C31 C32 122(5) .
N16 C31 C28 124(5) .
C32 C31 C28 114(5) .
C31 C32 H32A 105.8 .
C31 C32 H32B 111.7 .
H32A C32 H32B 109.5 .
C31 C32 H32C 110.8 .
H32A C32 H32C 109.5 .
H32B C32 H32C 109.5 .
N14 C33 C34 129(10) .
N14 C33 H33A 106.5 .
C34 C33 H33A 106.2 .
N14 C33 H33B 102.4 .
C34 C33 H33B 104.8 .
H33A C33 H33B 106.0 .
C35 C34 C33 120(10) .
C35 C34 H34A 107.7 .
C33 C34 H34A 107.8 .
C35 C34 H34B 107.3 .
C33 C34 H34B 106.4 .
H34A C34 H34B 106.7 .
C34 C35 N15 133(5) .
C34 C35 H35A 104.2 .
N15 C35 H35A 105.3 .
C34 C35 H35B 102.8 .
N15 C35 H35B 103.0 .
H35A C35 H35B 105.4 .
C37 C36 N15 108(4) .
C37 C36 H36A 111.2 .
N15 C36 H36A 109.8 .
C37 C36 H36B 109.9 .
N15 C36 H36B 109.6 .
H36A C36 H36B 108.4 .
C36 C37 C38 126(4) .
C36 C37 H37A 104.6 .
C38 C37 H37A 105.6 .
C36 C37 H37B 106.0 .
C38 C37 H37B 106.8 .
H37A C37 H37B 106.2 .
N16 C38 C37 107(5) .
N16 C38 H38A 109.0 .
C37 C38 H38A 109.7 .
N16 C38 H38B 111.3 .
C37 C38 H38B 111.3 .
H38A C38 H38B 108.6 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 C6 2.11(3) .
W1 C3 2.17(3) .
W1 C4 2.18(2) .
W1 C2 2.18(3) .
W1 C1 2.18(3) .
W1 C7 2.20(3) .
W1 C8 2.21(3) .
W1 C5 2.24(3) .
Ni1 N9 1.94(3) .
Ni1 N11 1.99(3) .
Ni1 N12 2.04(2) .
Ni1 N10 2.05(2) .
Ni1 N4 2.12(2) .
Ni1 N1 2.155(19) .
Ni2 N13 1.95(3) .
Ni2 N15 2.00(4) .
Ni2 N14 2.07(4) .
Ni2 N16 2.09(5) .
Ni2 N3 2.10(2) .
Ni2 N2 2.13(2) .
N1 C1 1.15(3) .
N2 C2 1.12(3) .
N3 C3 1.12(3) 4
N4 C4 1.15(3) 2_565
N5 C5 1.05(3) .
N6 C6 1.13(4) .
N7 C7 1.12(4) .
N8 C8 1.10(4) .
N9 C13 1.37(5) .
N9 C9 1.37(5) .
N10 C16 1.22(4) .
N10 C18 1.73(5) .
N11 C20 1.49(4) .
N11 C21 1.51(4) .
N11 H11 0.9100 .
N12 C14 1.40(4) .
N12 C23 1.43(4) .
N13 C24 1.35(5) .
N13 C28 1.36(6) .
N14 C29 1.21(6) .
N14 C33 1.27(11) .
N15 C36 1.48(9) .
N15 C35 1.51(10) .
N15 H15 0.9100 .
N16 C31 1.16(6) .
N16 C38 1.37(6) .
C3 N3 1.12(3) 4_454
C4 N4 1.15(3) 2_564
C9 C10 1.38(6) .
C9 C16 1.59(5) .
C10 C11 1.38(7) .
C10 H10 0.9300 .
C11 C12 1.39(7) .
C11 H11A 0.9300 .
C12 C13 1.38(6) .
C12 H12 0.9300 .
C13 C14 1.45(5) .
C14 C15 1.49(4) .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C16 C17 1.45(5) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C18 C19 1.44(6) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C19 C20 1.39(5) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C21 C22 1.50(5) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 C23 1.53(6) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.40(6) .
C24 C29 1.51(7) .
C25 C26 1.38(8) .
C25 H25 0.9300 .
C26 C27 1.38(8) .
C26 H26 0.9300 .
C27 C28 1.39(6) .
C27 H27 0.9300 .
C28 C31 1.52(7) .
C29 C30 1.47(7) .
C30 H30A 0.9600 .
C30 H30B 0.9600 .
C30 H30C 0.9600 .
C31 C32 1.48(8) .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 C34 1.49(11) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.48(13) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 C37 1.46(10) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.48(11) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
