Bis(dimethylformamide-2κ<i>O</i>)bis[μ-1-(2-oxidobenzoyl)-2-(phenoxyacetyl)hydrazine(3{-})]-1κ^3^<i>O</i>,<i>N</i>,<i>O</i>':2κ^2^<i>N</i>,<i>O</i>'';2κ^2^<i>N</i>,<i>O</i>'':3κ^3^<i>O</i>,<i>N</i>,<i>O</i>'-dipyridine-1κ<i>N</i>,3κ<i>N</i>-trinickel(II)
Zhao, Yan; Luo, Jian-Hai; Huang, Xi-He; Huang, Chang-Cang; Liu, Dong-Sheng; Acta Crystallographica Section E 63 (2007) m1999–m2000; doi:10.1107/S1600536807030498

data_2214385
_publ_section_title
Bis(dimethylformamide-2\k<i>O</i>)bis[\m-1-(2-oxidobenzoyl)-2-(phenoxyacetyl)hydrazine(3{-})]-1\k^3^<i>O</i>,<i>N</i>,<i>O</i>':2\k^2^<i>N</i>,<i>O</i>'';2\k^2^<i>N</i>,<i>O</i>'':3\k^3^<i>O</i>,<i>N</i>,<i>O</i>'-dipyridine-1\k<i>N</i>,3\k<i>N</i>-trinickel(II)
_journal_coeditor_code           RZ2145
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1999
_journal_page_last               m2000
_journal_paper_doi               10.1107/S1600536807030498
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Ni3 (C15 H12 N2 O4)2 (C5 H5 N)2 (C3 H6 N O)2]'
_chemical_formula_moiety         'C46 H46 N8 Ni3 O10'
_chemical_formula_sum            'C46 H46 N8 Ni3 O10'
_chemical_formula_weight         1046.98
_chemical_name_systematic
;
Bis(dimethylformamide-2\kO)bis[\m-1-(2-oxidobenzoyl)-2-
(phenoxyacetyl)hydrazine(3-)]-
1\k^3^O,N,O':2\k^2^N,O'';2\k^2^N,O'':3\k^3^O,N,O'-dipyridine-1\kN,3\kN-
trinickel(II)
;
_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                 112.98(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   28.646(6)
_cell_length_b                   8.2490(16)
_cell_length_c                   21.176(4)
_cell_measurement_reflns_used    13455
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.05
_cell_volume                     4606.8(19)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        RAPID-AUTO
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1993)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP area-detector'
_diffrn_measurement_method       \w
_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  0.0649
_diffrn_reflns_av_sigmaI/netI    0.0593
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21350
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.05
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.281
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.210
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.175
_refine_diff_density_max         0.498
_refine_diff_density_min         -0.645
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     306
_refine_ls_number_reflns         5266
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.1091
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0080P)^2^+4.5359P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1291
_reflns_number_gt                3189
_reflns_number_total             5266
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz2145.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2214385
_cod_database_fobs_code          2214385