[μ-1,2-Disalicyloylhydrazine(2–)-κ^3^<i>N</i>,<i>O</i>,<i>O</i>':κ^3^<i>N</i>',<i>O</i>'',<i>O</i>''']bis[tripyridinenickel(II)] pyridine disolvate
Yuting Chen; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang; Yue-Hua Zhu; Acta Crystallographica Section E 63 (2007) m2118–m2118; doi:10.1107/S1600536807033582

data_2214747
_publ_section_title
;[\m-1,2-Disalicyloylhydrazine(2--)-\k^3^<i>N</i>,<i>O</i>,<i>O</i>':\k^3^<i>N</i>',<i>O</i>'',<i>O</i>''']bis[tripyridinenickel(II)]
 pyridine disolvate
;
_journal_coeditor_code           HY2070
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2118
_journal_page_last               m2118
_journal_paper_doi               10.1107/S1600536807033582
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ni2 (C14 H8 N2 O4) (C5 H5 N)6], 2C5 H5 N'
_chemical_formula_moiety         'C44 H38 N8 Ni2 O4, 2(C5 H5 N)'
_chemical_formula_sum            'C54 H48 N10 Ni2 O4'
_chemical_formula_weight         1018.44
_chemical_name_systematic
;
[\m-1,2-Disalicyloylhydrazine(2-)-
\k^3^N,O,O':\k^3^N',O'',O''']bis[tripyridinenickel(II)] pyridine disolvate
;
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.040(2)
_cell_length_b                   27.040(2)
_cell_length_c                   14.3178(18)
_cell_measurement_reflns_used    3046
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.48
_cell_measurement_theta_min      2.204
_cell_volume                     10468.6(17)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0638
_diffrn_reflns_av_sigmaI/netI    0.0791
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21466
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.51
_exptl_absorpt_coefficient_mu    0.773
_exptl_absorpt_correction_T_max  0.861
_exptl_absorpt_correction_T_min  0.779
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.292
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4240
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.309
_refine_diff_density_min         -0.426
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4609
_refine_ls_number_restraints     102
_refine_ls_restrained_S_all      1.096
_refine_ls_R_factor_all          0.0916
_refine_ls_R_factor_gt           0.0529
_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^)+(0.07P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1328
_refine_ls_wR_factor_ref         0.1516
_reflns_number_gt                2743
_reflns_number_total             4609
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2070.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               2214747
_cod_database_fobs_code          2214747