Bis{2-amino-2-oxo-<i>N</i>-[(1<i>E</i>)-1-(pyridin-2-yl-κ<i>N</i>)ethylidene]acetohydrazidato-κ^2^<i>N</i>',<i>O</i>^1^}nickel(II)
Kane, Cheikh Hamidou; Thiam, Ibrahima Elhadj; Tamboura, Farba Bouyagui; Gaye, Mohamed; Retailleau, Pascal; Acta Crystallographica Section E 68 (2012) m553–; doi:10.1107/S1600536812014109

data_2234565
_publ_section_title
;
 Bis{2-amino-2-oxo-<i>N</i>-[(1<i>E</i>)-1-(pyridin-2-yl-\k<i>N</i>)ethylidene]acetohydrazidato-\k^2^<i>N</i>',<i>O</i>^1^}nickel(II)
;
_journal_coeditor_code           CV5274
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m553
_journal_paper_doi               10.1107/S1600536812014109
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ni (C9 H9 N4 O2)2]'
_chemical_formula_moiety         'C18 H18 N8 Ni O4'
_chemical_formula_sum            'C18 H18 N8 Ni O4'
_chemical_formula_weight         469.11
_chemical_name_systematic
;
Bis{2-amino-2-oxo-<i>N</i>-[(1<i>E</i>)-1-(pyridin-2-
yl-\k<i>N</i>)ethylidene]acetohydrazidato-\k^2^<i>N</i>',<i>O</i>^1^}nickel(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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.915(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.703(3)
_cell_length_b                   17.878(4)
_cell_length_c                   8.929(2)
_cell_measurement_reflns_used    1780
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.534
_cell_measurement_theta_min      0.407
_cell_volume                     2418.2(9)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) and COLLECT (Nonius, 1999)'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) and COLLECT (Nonius, 1999)'
_computing_data_reduction        'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement
'SHELXL97 (Sheldrick, 2008) and CRYSTALBUILDER (Welter, 2006)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0702
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            6288
_diffrn_reflns_theta_full        23.49
_diffrn_reflns_theta_max         23.49
_diffrn_reflns_theta_min         2.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.839
_exptl_absorpt_correction_T_max  0.897
_exptl_absorpt_correction_T_min  0.778
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SCALEPACK; Otwinowski & Minor, 1997)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.289
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.304
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         1777
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0510
_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^)+(0.0757P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1371
_reflns_number_gt                1285
_reflns_number_total             1781
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv5274.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2234565
_cod_database_fobs_code          2234565