(1,2-Disalicyloylhydrazine)hexakis(pyridine)dinickel(II) 1,2-disalicyloylhydrazine solvate
Yuting Chen; Jian-Min Dou; Da-Cheng Li; Da-Qi Wang; Yuehua Zhu; Acta Crystallographica Section E 63 (2007) m2503–m2504; doi:10.1107/S1600536807042936

data_2215570
_publ_section_title
;
 (1,2-Disalicyloylhydrazine)hexakis(pyridine)dinickel(II)
 1,2-disalicyloylhydrazine solvate
;
_journal_coeditor_code           KJ2063
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2503
_journal_page_last               m2504
_journal_paper_doi               10.1107/S1600536807042936
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Ni2 (C14 H8 N2 O4) (C5 H5 N)6], C14 H12 N2 O4'
_chemical_formula_moiety         'C44 H38 N8 Ni2 O4, C14 H12 N2 O4'
_chemical_formula_sum            'C58 H50 N10 Ni2 O8'
_chemical_formula_weight         1132.50
_chemical_name_systematic
;
(1,2-Disalicyloylhydrazine)hexakis(pyridine)dinickel(II)
1,2-disalicyloylhydrazine solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                72.230(4)
_cell_angle_beta                 85.285(4)
_cell_angle_gamma                82.876(4)
_cell_formula_units_Z            1
_cell_length_a                   10.615(4)
_cell_length_b                   11.097(4)
_cell_length_c                   12.094(5)
_cell_measurement_reflns_used    2995
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.361
_cell_measurement_theta_min      2.201
_cell_volume                     1344.7(9)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  'SHELXTL (Sheldrick, 1997b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w 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  0.0240
_diffrn_reflns_av_sigmaI/netI    0.0478
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6973
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.766
_exptl_absorpt_correction_T_max  0.7494
_exptl_absorpt_correction_T_min  0.6441
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.399
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             588
_exptl_crystal_size_max          0.63
_exptl_crystal_size_mid          0.52
_exptl_crystal_size_min          0.40
_refine_diff_density_max         0.397
_refine_diff_density_min         -0.275
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     352
_refine_ls_number_reflns         4652
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.0547
_refine_ls_R_factor_gt           0.0349
_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/[\s^2^(Fo^2^)+(0.0480P)^2^+0.4895P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.1016
_reflns_number_gt                3642
_reflns_number_total             4652
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            kj2063.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               2215570
_cod_database_fobs_code          2215570