Bis[μ-2-hydroxy-<i>N</i>'-(4-hydroxy-2-oxidobenzylidene)benzohydrazide]bis[pyridinezinc(II)] dimethylformamide disolvate
Jin-Shang Huang; Ming-Tian Li; Acta Crystallographica Section E 63 (2007) m2170–m2171; doi:10.1107/S1600536807024944

data_2214565
_publ_section_title
;Bis[\m-2-hydroxy-<i>N</i>'-(4-hydroxy-2-oxidobenzylidene)benzohydrazide]bis[pyridinezinc(II)]
 dimethylformamide disolvate
;
_journal_coeditor_code           CF2107
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2170
_journal_page_last               m2171
_journal_paper_doi               10.1107/S1600536807024944
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Zn2 (C14 H10 N2 O4)2 (C5 H5 N)2] , 2C3 H7 N O'
_chemical_formula_moiety         'C38 H30 N6 O8 Zn2 , 2C3 H7 NO'
_chemical_formula_sum            'C44 H44 N8 O10 Zn2'
_chemical_formula_weight         975.61
_chemical_name_systematic
;
Bis[\m-2-hydroxy-N'-(4-hydroxy-2-
oxidobenzylidene)benzohydrazide]bis[pyridinezinc(II)]
dimethylformamide disolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 113.1270(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            6
_cell_length_a                   24.5015(16)
_cell_length_b                   10.3868(7)
_cell_length_c                   28.8550(18)
_cell_measurement_reflns_used    8439
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      24.09
_cell_measurement_theta_min      2.17
_cell_volume                     6753.2(8)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART 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  0.0420
_diffrn_reflns_av_sigmaI/netI    0.0564
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            45215
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         0.90
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.131
_exptl_absorpt_correction_T_max  0.8953
_exptl_absorpt_correction_T_min  0.8053
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3024
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.462
_refine_diff_density_min         -0.373
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.008
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     889
_refine_ls_number_reflns         15421
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0862
_refine_ls_R_factor_gt           0.0482
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0567P)^2^+0.3991P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1298
_reflns_number_gt                9826
_reflns_number_total             15421
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cf2107.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -P2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2214565
_cod_database_fobs_code          2214565