Bis(4-methoxybenzaldehyde 2-hydroxybenzoylhydrazonato)pyridinezinc(II) pyridine solvate
Tai, Xi-Shi; Yin, Jie; Hao, Ming-Yang; Acta Crystallographica Section E 63 (2007) m1927–m1928; doi:10.1107/S1600536807028917

data_2214019
_publ_section_title
;
 Bis(4-methoxybenzaldehyde 2-hydroxybenzoylhydrazonato)pyridinezinc(II)
 pyridine solvate
;
_journal_coeditor_code           AT2306
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1927
_journal_page_last               m1928
_journal_paper_doi               10.1107/S1600536807028917
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C15 H13 N2 O3)2 (C5 H5 N)] , C5 H5 N'
_chemical_formula_moiety         'C35 H31 N5 O6 Zn , C5 H5 N'
_chemical_formula_sum            'C40 H36 N6 O6 Zn'
_chemical_formula_weight         762.14
_chemical_name_systematic
;
Bis(4-methoxybenzaldehyde 2-hydroxybenzoylhydrazonato)pyridinezinc(II)
pyridine solvate
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.447(2)
_cell_length_b                   10.0122(17)
_cell_length_c                   23.598(3)
_cell_measurement_reflns_used    1992
_cell_measurement_temperature    298
_cell_measurement_theta_max      23.02
_cell_measurement_theta_min      2.42
_cell_volume                     3649.6(9)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_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 0.991
_diffrn_measured_fraction_theta_max 0.991
_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  0.0678
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            14274
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.73
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.729
_exptl_absorpt_correction_T_max  0.874
_exptl_absorpt_correction_T_min  0.744
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.387
_exptl_crystal_density_method    'Not measured'
_exptl_crystal_description       laminar
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.302
_refine_diff_density_min         -0.412
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     241
_refine_ls_number_reflns         3183
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.1036
_refine_ls_R_factor_gt           0.0443
_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^)+(0.0568P)^2^+2.7233P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1036
_refine_ls_wR_factor_ref         0.1439
_reflns_number_gt                1794
_reflns_number_total             3183
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2306.cif
_cod_data_source_block           I
_cod_database_code               2214019
_cod_database_fobs_code          2214019