#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/53/7015330.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_7015330
loop_
_publ_author_name
'Zhang, Shu-Hua'
'Li, Ning'
'Ge, Cheng-Min'
'Feng, Chao'
'Ma, Lu-Fang'
_publ_section_title
;
 Structures and magnetism of {Ni2Na2}, {Ni4} and {Ni6(II)Ni(III)}
 2-hydroxy-3-alkoxy-benzaldehyde clusters.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3000
_journal_page_last               3007
_journal_paper_doi               10.1039/c0dt01498b
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C48 H48 Ni7 O24, 3(Cl O4) '
_chemical_formula_sum            'C48 H48 Cl3 Ni7 O36'
_chemical_formula_weight         1718.18
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 108.2590(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.751(2)
_cell_length_b                   13.7046(14)
_cell_length_c                   22.953(2)
_cell_measurement_reflns_used    3299
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      1.78
_cell_volume                     6497.5(11)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'SMART(Bruker 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0845
_diffrn_reflns_av_sigmaI/netI    0.0776
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            19058
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.78
_exptl_absorpt_coefficient_mu    2.202
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3484
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.360
_exptl_crystal_size_min          0.355
_refine_diff_density_max         1.073
_refine_diff_density_min         -1.001
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     444
_refine_ls_number_reflns         5664
_refine_ls_number_restraints     102
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0658
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1159P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1929
_refine_ls_wR_factor_ref         0.2046
_reflns_number_gt                3290
_reflns_number_total             5664
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01498b.txt
_cod_data_source_block           771964
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_cell_volume        6497.6(11)
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7015330
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'
'-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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ni1 Ni 0.2500 0.7500 0.0000 0.0571(4) Uani 1 2 d S . .
Ni2 Ni 0.16333(4) 0.89045(7) 0.04525(4) 0.0578(3) Uani 1 1 d . . .
Ni3 Ni 0.30624(5) 0.85543(7) 0.12556(4) 0.0580(3) Uani 1 1 d . . .
Ni4 Ni 0.38971(4) 0.70421(7) 0.08338(4) 0.0569(3) Uani 1 1 d . . .
Cl1 Cl 0.18831(13) 0.5230(2) 0.09811(15) 0.0938(8) Uani 1 1 d U . .
Cl2 Cl 0.5000 0.2807(4) 0.2500 0.1142(13) Uani 1 2 d SU . .
C1 C 0.2500(4) 1.0510(6) 0.0937(3) 0.0584(19) Uani 1 1 d . . .
C2 C 0.3086(4) 1.0969(6) 0.1237(4) 0.073(2) Uani 1 1 d . . .
C3 C 0.3099(5) 1.2048(8) 0.1179(5) 0.102(3) Uani 1 1 d U . .
H3 H 0.3469 1.2406 0.1376 0.123 Uiso 1 1 calc R . .
C4 C 0.2562(5) 1.2479(9) 0.0836(5) 0.110(3) Uani 1 1 d U . .
H4 H 0.2578 1.3155 0.0810 0.132 Uiso 1 1 calc R . .
C5 C 0.2005(5) 1.2062(8) 0.0526(5) 0.102(3) Uani 1 1 d U . .
H5 H 0.1650 1.2418 0.0290 0.123 Uiso 1 1 calc R . .
C6 C 0.1990(5) 1.1056(7) 0.0580(4) 0.080(3) Uani 1 1 d U . .
C7 C 0.0871(7) 1.0843(12) -0.0107(6) 0.158(5) Uani 1 1 d U . .
H7A H 0.0786 1.1459 0.0051 0.237 Uiso 1 1 calc R . .
H7B H 0.0516 1.0407 -0.0142 0.237 Uiso 1 1 calc R . .
H7C H 0.0922 1.0938 -0.0504 0.237 Uiso 1 1 calc R . .
C8 C 0.3622(6) 1.0485(10) 0.1557(5) 0.111(3) Uani 1 1 d U . .
H8 H 0.3972 1.0883 0.1755 0.133 Uiso 1 1 calc R . .
C9 C 0.4532(3) 0.7364(6) -0.0053(4) 0.0589(19) Uani 1 1 d . . .
C10 C 0.4580(4) 0.7421(7) -0.0632(4) 0.069(2) Uani 1 1 d . . .
C11 C 0.5006(5) 0.8100(8) -0.0744(5) 0.094(3) Uani 1 1 d . . .
H11 H 0.5058 0.8133 -0.1131 0.113 Uiso 1 1 calc R . .
C12 C 0.5343(5) 0.8710(8) -0.0298(5) 0.100(3) Uani 1 1 d . . .
H12 H 0.5618 0.9168 -0.0385 0.120 Uiso 1 1 calc R . .
C13 C 0.5289(4) 0.8668(7) 0.0284(4) 0.087(3) Uani 1 1 d . . .
H13 H 0.5525 0.9089 0.0590 0.105 Uiso 1 1 calc R . .
C14 C 0.4879(3) 0.7992(6) 0.0401(4) 0.064(2) Uani 1 1 d . . .
C15 C 0.5144(5) 0.8404(8) 0.1477(5) 0.112(3) Uani 1 1 d U . .
H15A H 0.5596 0.8283 0.1545 0.168 Uiso 1 1 calc R . .
H15B H 0.5031 0.8201 0.1831 0.168 Uiso 1 1 calc R . .
H15C H 0.5058 0.9089 0.1409 0.168 Uiso 1 1 calc R . .
C16 C 0.4207(5) 0.6805(8) -0.1133(4) 0.088(3) Uani 1 1 d . . .
H16 H 0.4296 0.6868 -0.1501 0.105 Uiso 1 1 calc R . .
C17 C 0.3636(3) 0.6953(6) 0.2029(3) 0.060(2) Uani 1 1 d . . .
C18 C 0.3936(4) 0.6061(6) 0.2187(4) 0.072(2) Uani 1 1 d . . .
C19 C 0.3889(5) 0.5584(8) 0.2717(4) 0.095(3) Uani 1 1 d . . .
H19 H 0.4098 0.4990 0.2836 0.114 Uiso 1 1 calc R . .
C20 C 0.3541(6) 0.5986(9) 0.3055(5) 0.102(3) Uani 1 1 d . . .
H20 H 0.3527 0.5677 0.3411 0.122 Uiso 1 1 calc R . .
C21 C 0.3219(5) 0.6816(8) 0.2882(4) 0.088(3) Uani 1 1 d . . .
H21 H 0.2963 0.7055 0.3107 0.106 Uiso 1 1 calc R . .
C22 C 0.3256(4) 0.7340(7) 0.2370(4) 0.067(2) Uani 1 1 d . . .
C23 C 0.2494(5) 0.8594(8) 0.2403(5) 0.114(4) Uani 1 1 d U . .
H23A H 0.2210 0.8088 0.2455 0.172 Uiso 1 1 calc R . .
H23B H 0.2245 0.9089 0.2135 0.172 Uiso 1 1 calc R . .
H23C H 0.2718 0.8878 0.2795 0.172 Uiso 1 1 calc R . .
C24 C 0.4271(4) 0.5593(7) 0.1810(5) 0.085(3) Uani 1 1 d . . .
H24 H 0.4462 0.4998 0.1956 0.102 Uiso 1 1 calc R . .
O1 O 0.2413(2) 0.9565(4) 0.0976(2) 0.0662(14) Uani 1 1 d . . .
O2 O 0.1422(3) 1.0454(5) 0.0279(3) 0.094(2) Uani 1 1 d . . .
O3 O 0.3726(3) 0.9649(6) 0.1631(3) 0.102(2) Uani 1 1 d U . .
O4 O 0.4152(2) 0.6706(4) 0.0103(2) 0.0599(13) Uani 1 1 d . . .
O5 O 0.4769(3) 0.7869(4) 0.0953(2) 0.0736(15) Uani 1 1 d U . .
O6 O 0.3789(3) 0.6216(5) -0.1126(3) 0.0832(18) Uani 1 1 d . . .
O7 O 0.3680(2) 0.7489(4) 0.1556(2) 0.0614(13) Uani 1 1 d . . .
O8 O 0.2952(3) 0.8192(5) 0.2143(2) 0.0768(16) Uani 1 1 d . . .
O9 O 0.4339(3) 0.5862(5) 0.1329(3) 0.0861(19) Uani 1 1 d . . .
O10 O 0.2253(2) 0.7727(3) 0.07567(19) 0.0514(12) Uani 1 1 d . . .
H10A H 0.2039 0.7207 0.0751 0.077 Uiso 1 1 d R . .
O11 O 0.3300(2) 0.8257(3) 0.04620(19) 0.0519(11) Uani 1 1 d . . .
H11B H 0.3413 0.8670 0.0239 0.078 Uiso 1 1 d R . .
O12 O 0.3060(2) 0.6331(3) 0.0314(2) 0.0511(11) Uani 1 1 d . . .
H12B H 0.2944 0.5888 0.0517 0.077 Uiso 1 1 d R . .
O13 O 0.1461(4) 0.5430(7) 0.0381(4) 0.160(4) Uani 1 1 d . A .
O14 O 0.1644(3) 0.4439(6) 0.1260(3) 0.110(2) Uani 1 1 d U A .
O16 O 0.1897(4) 0.6105(7) 0.1346(4) 0.149(3) Uani 1 1 d U A .
O17 O 0.4339(9) 0.272(2) 0.2500(8) 0.215(12) Uani 0.50 1 d P . .
O18 O 0.4744(5) 0.3246(8) 0.1945(5) 0.186(4) Uani 1 1 d U . .
O19 O 0.5000 0.1829(18) 0.2500 0.245(8) Uani 1 2 d SU . .
O15 O 0.196(3) 0.502(4) 0.065(3) 0.03(2) Uani 0.086(17) 1 d PU A 2
O15' O 0.2511(4) 0.5034(6) 0.0979(6) 0.170(6) Uani 0.914(17) 1 d P A 1
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'
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
_geom_angle_publ_flag
O10 Ni1 O10 180.0 . 7_565 ?
O10 Ni1 O12 83.67(19) . 7_565 ?
O10 Ni1 O12 96.33(19) 7_565 7_565 ?
O10 Ni1 O12 96.33(19) . . ?
O10 Ni1 O12 83.67(19) 7_565 . ?
O12 Ni1 O12 180.000(1) 7_565 . ?
O10 Ni1 O11 96.56(18) . 7_565 ?
O10 Ni1 O11 83.44(18) 7_565 7_565 ?
O12 Ni1 O11 83.97(18) 7_565 7_565 ?
O12 Ni1 O11 96.03(18) . 7_565 ?
O10 Ni1 O11 83.44(18) . . ?
O10 Ni1 O11 96.56(18) 7_565 . ?
O12 Ni1 O11 96.03(18) 7_565 . ?
O12 Ni1 O11 83.97(18) . . ?
O11 Ni1 O11 180.0 7_565 . ?
O1 Ni2 O4 177.1(2) . 7_565 ?
O1 Ni2 O6 94.7(2) . 7_565 ?
O4 Ni2 O6 87.2(2) 7_565 7_565 ?
O1 Ni2 O10 78.88(19) . . ?
O4 Ni2 O10 103.17(19) 7_565 . ?
O6 Ni2 O10 94.7(2) 7_565 . ?
O1 Ni2 O12 98.23(19) . 7_565 ?
O4 Ni2 O12 80.23(18) 7_565 7_565 ?
O6 Ni2 O12 164.5(2) 7_565 7_565 ?
O10 Ni2 O12 79.56(17) . 7_565 ?
O1 Ni2 O2 75.9(2) . . ?
O4 Ni2 O2 101.8(2) 7_565 . ?
O6 Ni2 O2 95.6(2) 7_565 . ?
O10 Ni2 O2 153.4(2) . . ?
O12 Ni2 O2 95.8(2) 7_565 . ?
O1 Ni3 O7 176.5(2) . . ?
O1 Ni3 O3 87.7(3) . . ?
O7 Ni3 O3 94.7(3) . . ?
O1 Ni3 O11 101.8(2) . . ?
O7 Ni3 O11 80.27(19) . . ?
O3 Ni3 O11 100.0(2) . . ?
O1 Ni3 O10 78.8(2) . . ?
O7 Ni3 O10 98.9(2) . . ?
O3 Ni3 O10 166.0(2) . . ?
O11 Ni3 O10 79.25(17) . . ?
O1 Ni3 O8 101.0(2) . . ?
O7 Ni3 O8 76.4(2) . . ?
O3 Ni3 O8 92.4(2) . . ?
O11 Ni3 O8 154.4(2) . . ?
O10 Ni3 O8 93.9(2) . . ?
O7 Ni4 O4 174.9(2) . . ?
O7 Ni4 O9 88.4(2) . . ?
O4 Ni4 O9 94.5(2) . . ?
O7 Ni4 O12 103.42(19) . . ?
O4 Ni4 O12 80.35(19) . . ?
O9 Ni4 O12 97.1(2) . . ?
O7 Ni4 O11 79.38(18) . . ?
O4 Ni4 O11 98.09(19) . . ?
O9 Ni4 O11 166.2(2) . . ?
O12 Ni4 O11 79.73(17) . . ?
O7 Ni4 O5 99.4(2) . . ?
O4 Ni4 O5 76.2(2) . . ?
O9 Ni4 O5 96.0(2) . . ?
O12 Ni4 O5 153.9(2) . . ?
O11 Ni4 O5 92.39(19) . . ?
O15 Cl1 O15' 58(4) . . ?
O15 Cl1 O13 58(4) . . ?
O15' Cl1 O13 111.7(7) . . ?
O15 Cl1 O14 109(4) . . ?
O15' Cl1 O14 110.4(5) . . ?
O13 Cl1 O14 111.2(4) . . ?
O15 Cl1 O16 143(4) . . ?
O15' Cl1 O16 108.5(7) . . ?
O13 Cl1 O16 106.8(6) . . ?
O14 Cl1 O16 108.0(5) . . ?
O19 Cl2 O18 116.3(5) . 2_655 ?
O19 Cl2 O18 116.3(5) . . ?
O18 Cl2 O18 127.5(11) 2_655 . ?
O19 Cl2 O17 85.5(12) . . ?
O18 Cl2 O17 98.6(8) 2_655 . ?
O18 Cl2 O17 85.4(11) . . ?
O19 Cl2 O17 85.5(12) . 2_655 ?
O18 Cl2 O17 85.4(11) 2_655 2_655 ?
O18 Cl2 O17 98.6(8) . 2_655 ?
O17 Cl2 O17 171(2) . 2_655 ?
O1 C1 C6 118.0(8) . . ?
O1 C1 C2 122.6(7) . . ?
C6 C1 C2 119.4(8) . . ?
C8 C2 C1 123.3(10) . . ?
C8 C2 C3 120.3(10) . . ?
C1 C2 C3 116.4(8) . . ?
C4 C3 C2 117.4(11) . . ?
C4 C3 H3 121.3 . . ?
C2 C3 H3 121.3 . . ?
C5 C4 C3 127.8(13) . . ?
C5 C4 H4 116.1 . . ?
C3 C4 H4 116.1 . . ?
C4 C5 C6 115.0(11) . . ?
C4 C5 H5 122.5 . . ?
C6 C5 H5 122.5 . . ?
C1 C6 C5 123.9(9) . . ?
C1 C6 O2 112.3(8) . . ?
C5 C6 O2 123.8(9) . . ?
O2 C7 H7A 109.5 . . ?
O2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
O2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
O3 C8 C2 131.2(12) . . ?
O3 C8 H8 114.4 . . ?
C2 C8 H8 114.4 . . ?
O4 C9 C10 122.5(7) . . ?
O4 C9 C14 117.0(7) . . ?
C10 C9 C14 120.5(7) . . ?
C9 C10 C11 118.4(8) . . ?
C9 C10 C16 122.8(8) . . ?
C11 C10 C16 118.8(8) . . ?
C12 C11 C10 120.6(9) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 121.3(9) . . ?
C11 C12 H12 119.3 . . ?
C13 C12 H12 119.3 . . ?
C14 C13 C12 118.5(8) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
C13 C14 O5 125.3(8) . . ?
C13 C14 C9 120.6(8) . . ?
O5 C14 C9 114.1(7) . . ?
O5 C15 H15A 109.5 . . ?
O5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
O5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O6 C16 C10 127.6(8) . . ?
O6 C16 H16 116.2 . . ?
C10 C16 H16 116.2 . . ?
O7 C17 C18 123.5(7) . . ?
O7 C17 C22 116.5(7) . . ?
C18 C17 C22 120.0(8) . . ?
C17 C18 C19 118.7(9) . . ?
C17 C18 C24 121.4(8) . . ?
C19 C18 C24 119.8(9) . . ?
C20 C19 C18 120.4(10) . . ?
C20 C19 H19 119.8 . . ?
C18 C19 H19 119.8 . . ?
C21 C20 C19 120.8(9) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C20 C21 C22 121.8(9) . . ?
C20 C21 H21 119.1 . . ?
C22 C21 H21 119.1 . . ?
O8 C22 C21 127.8(8) . . ?
O8 C22 C17 114.2(7) . . ?
C21 C22 C17 118.0(9) . . ?
O8 C23 H23A 109.5 . . ?
O8 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
O8 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
O9 C24 C18 129.6(9) . . ?
O9 C24 H24 115.2 . . ?
C18 C24 H24 115.2 . . ?
C1 O1 Ni3 128.3(5) . . ?
C1 O1 Ni2 121.8(5) . . ?
Ni3 O1 Ni2 105.9(2) . . ?
C7 O2 C6 121.9(9) . . ?
C7 O2 Ni2 126.4(8) . . ?
C6 O2 Ni2 111.2(5) . . ?
C8 O3 Ni3 124.9(8) . . ?
C9 O4 Ni2 126.3(4) . 7_565 ?
C9 O4 Ni4 115.3(5) . . ?
Ni2 O4 Ni4 103.4(2) 7_565 . ?
C14 O5 C15 119.7(7) . . ?
C14 O5 Ni4 110.4(5) . . ?
C15 O5 Ni4 128.8(6) . . ?
C16 O6 Ni2 125.3(6) . 7_565 ?
C17 O7 Ni3 118.7(5) . . ?
C17 O7 Ni4 127.7(5) . . ?
Ni3 O7 Ni4 104.8(2) . . ?
C22 O8 C23 119.4(7) . . ?
C22 O8 Ni3 111.7(5) . . ?
C23 O8 Ni3 126.9(6) . . ?
C24 O9 Ni4 125.2(6) . . ?
Ni1 O10 Ni2 98.73(18) . . ?
Ni1 O10 Ni3 98.64(19) . . ?
Ni2 O10 Ni3 96.23(19) . . ?
Ni1 O10 H10A 98.7 . . ?
Ni2 O10 H10A 110.6 . . ?
Ni3 O10 H10A 145.3 . . ?
Ni1 O11 Ni3 98.63(19) . . ?
Ni1 O11 Ni4 97.27(19) . . ?
Ni3 O11 Ni4 95.17(18) . . ?
Ni1 O11 H11B 113.0 . . ?
Ni3 O11 H11B 126.4 . . ?
Ni4 O11 H11B 120.7 . . ?
Ni1 O12 Ni4 98.95(19) . . ?
Ni1 O12 Ni2 97.95(19) . 7_565 ?
Ni4 O12 Ni2 95.85(18) . 7_565 ?
Ni1 O12 H12B 121.1 . . ?
Ni4 O12 H12B 112.2 . . ?
Ni2 O12 H12B 125.3 7_565 . ?
Cl1 O13 O15 38(3) . . ?
Cl1 O15 O13 84(5) . . ?
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
Ni1 O10 1.997(4) . ?
Ni1 O10 1.997(4) 7_565 ?
Ni1 O12 2.005(4) 7_565 ?
Ni1 O12 2.005(4) . ?
Ni1 O11 2.018(4) 7_565 ?
Ni1 O11 2.018(4) . ?
Ni2 O1 1.965(5) . ?
Ni2 O4 1.970(5) 7_565 ?
Ni2 O6 2.039(6) 7_565 ?
Ni2 O10 2.078(5) . ?
Ni2 O12 2.093(5) 7_565 ?
Ni2 O2 2.183(6) . ?
Ni3 O1 1.938(5) . ?
Ni3 O7 1.957(5) . ?
Ni3 O3 2.073(7) . ?
Ni3 O11 2.084(4) . ?
Ni3 O10 2.105(5) . ?
Ni3 O8 2.181(5) . ?
Ni4 O7 1.959(5) . ?
Ni4 O4 1.979(5) . ?
Ni4 O9 2.037(6) . ?
Ni4 O12 2.080(4) . ?
Ni4 O11 2.119(5) . ?
Ni4 O5 2.151(5) . ?
Cl1 O15 0.87(6) . ?
Cl1 O15' 1.394(9) . ?
Cl1 O13 1.422(7) . ?
Cl1 O14 1.437(7) . ?
Cl1 O16 1.457(9) . ?
Cl2 O19 1.34(2) . ?
Cl2 O18 1.361(11) 2_655 ?
Cl2 O18 1.361(11) . ?
Cl2 O17 1.441(19) . ?
Cl2 O17 1.441(19) 2_655 ?
C1 O1 1.316(9) . ?
C1 C6 1.375(11) . ?
C1 C2 1.395(11) . ?
C2 C8 1.343(13) . ?
C2 C3 1.485(13) . ?
C3 C4 1.325(13) . ?
C3 H3 0.9300 . ?
C4 C5 1.328(13) . ?
C4 H4 0.9300 . ?
C5 C6 1.386(13) . ?
C5 H5 0.9300 . ?
C6 O2 1.467(11) . ?
C7 O2 1.355(14) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 O3 1.169(12) . ?
C8 H8 0.9300 . ?
C9 O4 1.345(9) . ?
C9 C10 1.369(10) . ?
C9 C14 1.380(10) . ?
C10 C11 1.393(12) . ?
C10 C16 1.452(12) . ?
C11 C12 1.346(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.379(12) . ?
C12 H12 0.9300 . ?
C13 C14 1.370(11) . ?
C13 H13 0.9300 . ?
C14 O5 1.372(9) . ?
C15 O5 1.427(11) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 O6 1.218(10) . ?
C16 H16 0.9300 . ?
C17 O7 1.339(8) . ?
C17 C18 1.379(11) . ?
C17 C22 1.409(11) . ?
C18 C19 1.413(12) . ?
C18 C24 1.444(12) . ?
C19 C20 1.360(13) . ?
C19 H19 0.9300 . ?
C20 C21 1.329(13) . ?
C20 H20 0.9300 . ?
C21 C22 1.401(12) . ?
C21 H21 0.9300 . ?
C22 O8 1.362(10) . ?
C23 O8 1.423(11) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 O9 1.215(10) . ?
C24 H24 0.9300 . ?
O4 Ni2 1.970(5) 7_565 ?
O6 Ni2 2.039(6) 7_565 ?
O10 H10A 0.8499 . ?
O11 H11B 0.8498 . ?
O12 Ni2 2.093(5) 7_565 ?
O12 H12B 0.8499 . ?
O13 O15 1.21(6) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O10 H10A O16 0.85 2.12 2.835(10) 140.9 .
O11 H11B O13 0.85 1.97 2.808(8) 170.5 7_565
O12 H12B O15 0.85 2.55 3.27(6) 143.6 .
