#------------------------------------------------------------------------------
#$Date: 2016-03-24 03:30:43 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179634 $
#$URL: svn://www.crystallography.net/cod/cif/4/50/98/4509800.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4509800
loop_
_publ_author_name
'Ji, Cong-Min'
'Yang, Hui-Juan'
'Zhao, Chong-Chao'
'Tangoulis, Vassilis'
'Cui, Ai-Li'
'Kou, Hui-Zhong'
_publ_section_title
;
 Self-Assembly of Multidecker NiIIClusters from Preformed Ni4Decks
;
_journal_issue                   11
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              4607
_journal_paper_doi               10.1021/cg900975y
_journal_volume                  9
_journal_year                    2009
_chemical_formula_sum            'C52 H56 Cl4 N26 Ni8 O30'
_chemical_formula_weight         2136.71
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 110.53(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.936(3)
_cell_length_b                   17.524(4)
_cell_length_c                   14.848(3)
_cell_measurement_reflns_used    8611
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.00
_cell_volume                     3883.1(16)
_computing_cell_refinement       'crystalstructure 3.6.0 (Rigaku, 2004)'
_computing_data_collection       'crystalstructure 3.6.0 (Rigaku, 2004)'
_computing_data_reduction        'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'XP (Sheldrick, 1998)'
_computing_publication_material  'XP (Sheldrick, 1998)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 0.77
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       'ω 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  0.0526
_diffrn_reflns_av_sigmaI/netI    0.0473
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35611
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    2.132
_exptl_absorpt_correction_T_max  0.830
_exptl_absorpt_correction_T_min  0.642
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR; Higashi, 1995'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.828
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             2164
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.020
_refine_diff_density_min         -0.747
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         8611
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0438
_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)+(0.0309P)²+11.2095P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0891
_refine_ls_wR_factor_ref         0.1112
_reflns_number_gt                5928
_reflns_number_total             8611
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg900975ysup1.cif
_cod_data_source_block           Ni8
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3883.0(14)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4509800
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ni1 Ni 0.06918(3) 0.57676(3) 0.10129(4) 0.02825(13) Uani 1 1 d .
Ni2 Ni 0.01327(3) 0.63648(3) -0.11346(4) 0.02935(13) Uani 1 1 d .
Ni3 Ni -0.20976(4) 0.65921(3) -0.20747(4) 0.03408(14) Uani 1 1 d .
Ni4 Ni -0.14863(3) 0.60571(3) 0.02650(4) 0.02998(13) Uani 1 1 d .
Cl1 Cl 0.47222(10) 0.58016(9) 0.86291(14) 0.0736(5) Uani 1 1 d .
Cl2 Cl 0.13058(10) 0.54013(7) 0.47865(10) 0.0527(3) Uani 1 1 d .
C1 C 0.2205(3) 0.6959(3) 0.1711(4) 0.0427(11) Uani 1 1 d .
H1 H 0.1780 0.7317 0.1374 0.051 Uiso 1 1 calc R
C2 C 0.3045(4) 0.7211(3) 0.2266(4) 0.0519(13) Uani 1 1 d .
H2 H 0.3185 0.7728 0.2304 0.062 Uiso 1 1 calc R
C3 C 0.3675(4) 0.6679(3) 0.2767(4) 0.0584(15) Uani 1 1 d .
H3 H 0.4246 0.6833 0.3154 0.070 Uiso 1 1 calc R
C4 C 0.3447(3) 0.5917(3) 0.2687(4) 0.0509(13) Uani 1 1 d .
H4 H 0.3867 0.5551 0.3011 0.061 Uiso 1 1 calc R
C5 C 0.2590(3) 0.5700(2) 0.2123(3) 0.0349(10) Uani 1 1 d .
C6 C 0.2259(3) 0.4900(2) 0.2026(3) 0.0351(10) Uani 1 1 d .
C7 C 0.1716(3) 0.7468(2) -0.0754(4) 0.0418(11) Uani 1 1 d .
H7 H 0.1283 0.7848 -0.0949 0.050 Uiso 1 1 calc R
C8 C 0.2601(3) 0.7670(3) -0.0531(4) 0.0492(13) Uani 1 1 d .
H8 H 0.2761 0.8174 -0.0580 0.059 Uiso 1 1 calc R
C9 C 0.3242(3) 0.7110(3) -0.0235(4) 0.0495(13) Uani 1 1 d .
H9 H 0.3843 0.7230 -0.0092 0.059 Uiso 1 1 calc R
C10 C 0.2988(3) 0.6363(3) -0.0151(4) 0.0422(11) Uani 1 1 d .
H10 H 0.3414 0.5978 0.0063 0.051 Uiso 1 1 calc R
C11 C 0.2085(3) 0.6206(2) -0.0394(3) 0.0303(9) Uani 1 1 d .
C12 C 0.1725(3) 0.5431(2) -0.0345(3) 0.0288(9) Uani 1 1 d .
C13 C -0.3891(3) 0.7237(3) -0.2704(4) 0.0495(12) Uani 1 1 d .
H13 H -0.4110 0.6745 -0.2705 0.059 Uiso 1 1 calc R
C14 C -0.4492(3) 0.7831(3) -0.2975(4) 0.0578(14) Uani 1 1 d .
H14 H -0.5104 0.7740 -0.3156 0.069 Uiso 1 1 calc R
C15 C -0.4176(4) 0.8564(3) -0.2976(4) 0.0598(15) Uani 1 1 d .
H15 H -0.4571 0.8973 -0.3160 0.072 Uiso 1 1 calc R
C16 C -0.3262(3) 0.8679(3) -0.2698(4) 0.0525(13) Uani 1 1 d .
H16 H -0.3035 0.9168 -0.2695 0.063 Uiso 1 1 calc R
C17 C -0.2688(3) 0.8066(3) -0.2425(3) 0.0385(10) Uani 1 1 d .
C18 C -0.1714(3) 0.8095(3) -0.2123(3) 0.0366(10) Uani 1 1 d .
C19 C -0.3157(3) 0.6835(3) 0.0054(4) 0.0414(11) Uani 1 1 d .
H19 H -0.3431 0.6359 -0.0028 0.050 Uiso 1 1 calc R
C20 C -0.3660(4) 0.7478(3) 0.0053(4) 0.0536(14) Uani 1 1 d .
H20 H -0.4269 0.7437 -0.0054 0.064 Uiso 1 1 calc R
C21 C -0.3248(4) 0.8173(3) 0.0213(5) 0.0592(15) Uani 1 1 d .
H21 H -0.3567 0.8608 0.0253 0.071 Uiso 1 1 calc R
C22 C -0.2351(3) 0.8228(3) 0.0315(4) 0.0483(12) Uani 1 1 d .
H22 H -0.2068 0.8700 0.0403 0.058 Uiso 1 1 calc R
C23 C -0.1887(3) 0.7576(2) 0.0284(3) 0.0350(10) Uani 1 1 d .
C24 C -0.0962(3) 0.7539(2) 0.0317(3) 0.0308(9) Uani 1 1 d .
C25 C 0.3925(7) 0.9811(6) 0.0918(8) 0.136(4) Uani 1 1 d .
H25C H 0.3550 0.9539 0.1192 0.163 Uiso 1 1 d R
H25A H 0.4332 1.0122 0.1412 0.163 Uiso 1 1 d R
H25B H 0.3550 1.0134 0.0415 0.163 Uiso 1 1 d R
C26 C 0.4414(5) 0.9278(5) 0.0548(7) 0.095(3) Uani 1 1 d .
N1 N 0.1973(2) 0.62201(19) 0.1634(3) 0.0337(8) Uani 1 1 d .
N2 N 0.1389(2) 0.48300(19) 0.1666(2) 0.0302(7) Uani 1 1 d .
N3 N 0.2782(2) 0.4281(2) 0.2308(3) 0.0424(9) Uani 1 1 d .
H3A H 0.3357 0.4292 0.2563 0.051 Uiso 1 1 calc R
N4 N 0.1452(2) 0.67544(19) -0.0704(3) 0.0325(8) Uani 1 1 d .
N5 N 0.0867(2) 0.54139(18) -0.0403(2) 0.0281(7) Uani 1 1 d .
N6 N 0.2180(2) 0.47921(19) -0.0259(3) 0.0354(8) Uani 1 1 d .
H6 H 0.2735 0.4771 -0.0205 0.042 Uiso 1 1 calc R
N7 N -0.3000(2) 0.7338(2) -0.2437(3) 0.0395(9) Uani 1 1 d .
N8 N -0.1327(2) 0.7423(2) -0.1925(3) 0.0342(8) Uani 1 1 d .
N9 N -0.1241(3) 0.8753(2) -0.2053(3) 0.0487(11) Uani 1 1 d .
H9A H -0.0666 0.8739 -0.1874 0.058 Uiso 1 1 calc R
H9B H -0.1518 0.9183 -0.2189 0.058 Uiso 1 1 calc R
N10 N -0.2287(2) 0.6877(2) 0.0169(3) 0.0337(8) Uani 1 1 d .
N11 N -0.0694(2) 0.68417(19) 0.0289(2) 0.0294(7) Uani 1 1 d .
N12 N -0.0442(3) 0.8162(2) 0.0372(3) 0.0422(9) Uani 1 1 d .
H12A H 0.0100 0.8108 0.0391 0.051 Uiso 1 1 calc R
H12B H -0.0654 0.8611 0.0389 0.051 Uiso 1 1 calc R
N13 N 0.4791(6) 0.8861(6) 0.0260(7) 0.150(4) Uani 1 1 d .
O1 O 0.11516(18) 0.40549(15) 0.1599(2) 0.0334(7) Uani 1 1 d .
O2 O 0.05854(18) 0.46416(15) -0.0465(2) 0.0304(6) Uani 1 1 d .
O3 O -0.04313(19) 0.73943(16) -0.1657(2) 0.0381(7) Uani 1 1 d .
O4 O 0.01494(17) 0.67303(15) 0.0259(2) 0.0299(6) Uani 1 1 d .
O5 O 0.3916(3) 0.5378(3) 0.8379(4) 0.1076(19) Uani 1 1 d .
O6 O 0.4964(4) 0.6028(4) 0.9629(5) 0.128(2) Uani 1 1 d .
O7 O 0.5399(4) 0.5367(3) 0.8515(6) 0.139(3) Uani 1 1 d .
O8 O 0.4604(5) 0.6480(4) 0.8122(6) 0.153(3) Uani 1 1 d .
O9 O 0.1444(6) 0.6028(3) 0.5399(5) 0.147(3) Uani 1 1 d .
O10 O 0.1510(4) 0.4749(2) 0.5356(4) 0.0957(16) Uani 1 1 d .
O11 O 0.1832(3) 0.5478(3) 0.4192(3) 0.0902(15) Uani 1 1 d .
O12 O 0.0396(4) 0.5426(6) 0.4215(5) 0.171(4) Uani 1 1 d .
O1W O 0.0429(3) 0.6156(2) 0.2222(3) 0.0630(10) Uani 1 1 d .
H1A H 0.0794 0.5974 0.2743 0.43(12) Uiso 1 1 d R
H1B H -0.0043 0.5979 0.2286 0.16(4) Uiso 1 1 d R
O2W O 0.0187(3) 0.6005(3) -0.2456(3) 0.0699(11) Uani 1 1 d .
H2B H 0.0067 0.6368 -0.2861 0.14(4) Uiso 1 1 d R
H2C H 0.0694 0.5897 -0.2490 0.11(3) Uiso 1 1 d R
O3W O 0.2017(4) 0.5534(4) 0.7432(4) 0.109(2) Uani 1 1 d .
H3B H 0.1913 0.5527 0.6830 0.15(4) Uiso 1 1 d R
H3C H 0.2580 0.5463 0.7662 0.38(11) 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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'
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
N2 Ni1 O2 102.03(12) . 3_565
N2 Ni1 O4 170.61(12) . .
O2 Ni1 O4 84.28(11) 3_565 .
N2 Ni1 N1 79.00(14) . .
O2 Ni1 N1 176.54(12) 3_565 .
O4 Ni1 N1 95.11(13) . .
N2 Ni1 O1W 95.38(16) . .
O2 Ni1 O1W 89.14(15) 3_565 .
O4 Ni1 O1W 91.63(14) . .
N1 Ni1 O1W 87.48(16) . .
N2 Ni1 N5 89.82(13) . .
O2 Ni1 N5 87.96(12) 3_565 .
O4 Ni1 N5 83.40(11) . .
N1 Ni1 N5 95.36(13) . .
O1W Ni1 N5 174.47(15) . .
O3 Ni2 O1 86.26(11) . 3_565
O3 Ni2 N4 95.12(13) . .
O1 Ni2 N4 177.33(13) 3_565 .
O3 Ni2 O2W 93.84(16) . .
O1 Ni2 O2W 86.61(15) 3_565 .
N4 Ni2 O2W 91.01(16) . .
O3 Ni2 N5 170.19(13) . .
O1 Ni2 N5 101.41(12) 3_565 .
N4 Ni2 N5 77.47(13) . .
O2W Ni2 N5 92.72(16) . .
O3 Ni2 O4 87.60(12) . .
O1 Ni2 O4 95.99(11) 3_565 .
N4 Ni2 O4 86.36(12) . .
O2W Ni2 O4 177.11(14) . .
N5 Ni2 O4 85.54(12) . .
O1 Ni3 N3 84.88(14) 3_565 3_565
O1 Ni3 N8 91.09(14) 3_565 .
N3 Ni3 N8 172.99(16) 3_565 .
O1 Ni3 N7 172.96(15) 3_565 .
N3 Ni3 N7 100.42(16) 3_565 .
N8 Ni3 N7 84.09(16) . .
O2 Ni4 N6 84.06(13) 3_565 3_565
O2 Ni4 N11 90.16(13) 3_565 .
N6 Ni4 N11 174.22(14) 3_565 .
O2 Ni4 N10 171.66(14) 3_565 .
N6 Ni4 N10 102.93(15) 3_565 .
N11 Ni4 N10 82.85(15) . .
O7 Cl1 O8 111.8(4) . .
O7 Cl1 O5 110.8(3) . .
O8 Cl1 O5 111.7(4) . .
O7 Cl1 O6 109.8(4) . .
O8 Cl1 O6 105.0(5) . .
O5 Cl1 O6 107.6(4) . .
O10 Cl2 O9 107.5(3) . .
O10 Cl2 O12 111.4(4) . .
O9 Cl2 O12 105.3(5) . .
O10 Cl2 O11 113.1(3) . .
O9 Cl2 O11 109.8(4) . .
O12 Cl2 O11 109.4(3) . .
N1 C1 C2 122.8(5) . .
N1 C1 H1 118.6 . .
C2 C1 H1 118.6 . .
C1 C2 C3 118.5(5) . .
C1 C2 H2 120.8 . .
C3 C2 H2 120.8 . .
C4 C3 C2 119.2(5) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C3 C4 C5 119.6(5) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
N1 C5 C4 121.3(4) . .
N1 C5 C6 114.6(4) . .
C4 C5 C6 124.1(4) . .
N2 C6 N3 120.4(4) . .
N2 C6 C5 114.7(4) . .
N3 C6 C5 124.8(4) . .
N4 C7 C8 123.1(4) . .
N4 C7 H7 118.4 . .
C8 C7 H7 118.4 . .
C9 C8 C7 118.5(4) . .
C9 C8 H8 120.8 . .
C7 C8 H8 120.8 . .
C8 C9 C10 119.7(4) . .
C8 C9 H9 120.1 . .
C10 C9 H9 120.1 . .
C11 C10 C9 118.2(4) . .
C11 C10 H10 120.9 . .
C9 C10 H10 120.9 . .
N4 C11 C10 122.1(4) . .
N4 C11 C12 114.3(3) . .
C10 C11 C12 123.6(4) . .
N6 C12 N5 120.2(4) . .
N6 C12 C11 124.9(4) . .
N5 C12 C11 114.8(3) . .
N7 C13 C14 122.7(5) . .
N7 C13 H13 118.6 . .
C14 C13 H13 118.6 . .
C13 C14 C15 119.3(5) . .
C13 C14 H14 120.4 . .
C15 C14 H14 120.4 . .
C14 C15 C16 118.8(5) . .
C14 C15 H15 120.6 . .
C16 C15 H15 120.6 . .
C17 C16 C15 119.7(5) . .
C17 C16 H16 120.1 . .
C15 C16 H16 120.1 . .
N7 C17 C16 121.6(4) . .
N7 C17 C18 112.3(4) . .
C16 C17 C18 126.1(4) . .
N8 C18 N9 122.6(4) . .
N8 C18 C17 113.8(4) . .
N9 C18 C17 123.6(4) . .
N10 C19 C20 122.0(5) . .
N10 C19 H19 119.0 . .
C20 C19 H19 119.0 . .
C21 C20 C19 119.0(5) . .
C21 C20 H20 120.5 . .
C19 C20 H20 120.5 . .
C20 C21 C22 119.7(5) . .
C20 C21 H21 120.2 . .
C22 C21 H21 120.2 . .
C23 C22 C21 119.1(5) . .
C23 C22 H22 120.4 . .
C21 C22 H22 120.4 . .
N10 C23 C22 121.2(4) . .
N10 C23 C24 112.7(4) . .
C22 C23 C24 126.0(4) . .
N11 C24 N12 123.9(4) . .
N11 C24 C23 112.4(4) . .
N12 C24 C23 123.7(4) . .
C26 C25 H25C 109.8 . .
C26 C25 H25A 110.3 . .
H25C C25 H25A 108.2 . .
C26 C25 H25B 110.9 . .
H25C C25 H25B 108.2 . .
H25A C25 H25B 109.2 . .
N13 C26 C25 179.6(11) . .
C1 N1 C5 118.6(4) . .
C1 N1 Ni1 127.2(3) . .
C5 N1 Ni1 113.4(3) . .
C6 N2 O1 109.9(3) . .
C6 N2 Ni1 116.4(3) . .
O1 N2 Ni1 131.4(2) . .
C6 N3 Ni3 110.5(3) . 3_565
C6 N3 H3A 124.7 . .
Ni3 N3 H3A 124.7 3_565 .
C7 N4 C11 118.3(4) . .
C7 N4 Ni2 126.6(3) . .
C11 N4 Ni2 115.0(3) . .
C12 N5 O2 108.5(3) . .
C12 N5 Ni2 112.7(3) . .
O2 N5 Ni2 128.0(2) . .
C12 N5 Ni1 112.5(3) . .
O2 N5 Ni1 100.3(2) . .
Ni2 N5 Ni1 92.00(12) . .
C12 N6 Ni4 112.0(3) . 3_565
C12 N6 H6 124.0 . .
Ni4 N6 H6 124.0 3_565 .
C13 N7 C17 117.9(4) . .
C13 N7 Ni3 128.1(3) . .
C17 N7 Ni3 114.0(3) . .
C18 N8 O3 117.9(4) . .
C18 N8 Ni3 115.8(3) . .
O3 N8 Ni3 126.3(3) . .
C18 N9 H9A 120.0 . .
C18 N9 H9B 120.0 . .
H9A N9 H9B 120.0 . .
C19 N10 C23 118.9(4) . .
C19 N10 Ni4 127.5(3) . .
C23 N10 Ni4 113.5(3) . .
C24 N11 O4 118.1(3) . .
C24 N11 Ni4 117.8(3) . .
O4 N11 Ni4 124.0(2) . .
C24 N12 H12A 120.0 . .
C24 N12 H12B 120.0 . .
H12A N12 H12B 120.0 . .
N2 O1 Ni3 114.2(2) . 3_565
N2 O1 Ni2 125.6(2) . 3_565
Ni3 O1 Ni2 119.99(14) 3_565 3_565
N5 O2 Ni4 114.6(2) . 3_565
N5 O2 Ni1 127.6(2) . 3_565
Ni4 O2 Ni1 116.48(13) 3_565 3_565
N8 O3 Ni2 115.3(2) . .
N11 O4 Ni1 109.3(2) . .
N11 O4 Ni2 113.0(2) . .
Ni1 O4 Ni2 98.12(11) . .
Ni1 O1W H1A 112.3 . .
Ni1 O1W H1B 115.4 . .
H1A O1W H1B 96.4 . .
Ni2 O2W H2B 111.5 . .
Ni2 O2W H2C 118.5 . .
H2B O2W H2C 96.2 . .
H3B O3W H3C 102.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ni1 N2 2.029(3) .
Ni1 O2 2.039(3) 3_565
Ni1 O4 2.042(3) .
Ni1 N1 2.080(4) .
Ni1 O1W 2.095(4) .
Ni1 N5 2.300(3) .
Ni2 O3 2.043(3) .
Ni2 O1 2.053(3) 3_565
Ni2 N4 2.086(3) .
Ni2 O2W 2.090(4) .
Ni2 N5 2.106(3) .
Ni2 O4 2.157(3) .
Ni3 O1 1.819(3) 3_565
Ni3 N3 1.841(4) 3_565
Ni3 N8 1.868(4) .
Ni3 N7 1.877(4) .
Ni4 O2 1.830(3) 3_565
Ni4 N6 1.852(3) 3_565
Ni4 N11 1.859(3) .
Ni4 N10 1.893(3) .
Cl1 O7 1.379(5) .
Cl1 O8 1.385(6) .
Cl1 O5 1.416(4) .
Cl1 O6 1.452(6) .
Cl2 O10 1.391(4) .
Cl2 O9 1.392(5) .
Cl2 O12 1.401(6) .
Cl2 O11 1.421(4) .
C1 N1 1.341(5) .
C1 C2 1.376(7) .
C1 H1 0.9300 .
C2 C3 1.381(8) .
C2 H2 0.9300 .
C3 C4 1.379(7) .
C3 H3 0.9300 .
C4 C5 1.381(6) .
C4 H4 0.9300 .
C5 N1 1.351(6) .
C5 C6 1.487(6) .
C6 N2 1.305(5) .
C6 N3 1.342(5) .
C7 N4 1.329(5) .
C7 C8 1.377(6) .
C7 H7 0.9300 .
C8 C9 1.373(7) .
C8 H8 0.9300 .
C9 C10 1.388(6) .
C9 H9 0.9300 .
C10 C11 1.383(6) .
C10 H10 0.9300 .
C11 N4 1.352(5) .
C11 C12 1.486(5) .
C12 N6 1.316(5) .
C12 N5 1.340(5) .
C13 N7 1.345(6) .
C13 C14 1.376(7) .
C13 H13 0.9300 .
C14 C15 1.379(8) .
C14 H14 0.9300 .
C15 C16 1.383(7) .
C15 H15 0.9300 .
C16 C17 1.376(6) .
C16 H16 0.9300 .
C17 N7 1.367(6) .
C17 C18 1.459(6) .
C18 N8 1.313(5) .
C18 N9 1.362(6) .
C19 N10 1.338(5) .
C19 C20 1.383(6) .
C19 H19 0.9300 .
C20 C21 1.365(7) .
C20 H20 0.9300 .
C21 C22 1.387(7) .
C21 H21 0.9300 .
C22 C23 1.370(6) .
C22 H22 0.9300 .
C23 N10 1.364(5) .
C23 C24 1.458(6) .
C24 N11 1.300(5) .
C24 N12 1.356(5) .
C25 C26 1.443(12) .
C25 H25C 0.9599 .
C25 H25A 0.9601 .
C25 H25B 0.9601 .
C26 N13 1.121(10) .
N2 O1 1.404(4) .
N3 Ni3 1.841(4) 3_565
N3 H3A 0.8600 .
N5 O2 1.418(4) .
N6 Ni4 1.852(3) 3_565
N6 H6 0.8600 .
N8 O3 1.341(4) .
N9 H9A 0.8600 .
N9 H9B 0.8600 .
N11 O4 1.374(4) .
N12 H12A 0.8600 .
N12 H12B 0.8600 .
O1 Ni3 1.819(3) 3_565
O1 Ni2 2.053(3) 3_565
O2 Ni4 1.830(3) 3_565
O2 Ni1 2.039(3) 3_565
O1W H1A 0.8501 .
O1W H1B 0.8500 .
O2W H2B 0.8501 .
O2W H2C 0.8499 .
O3W H3B 0.8499 .
O3W H3C 0.8499 .
