Bis[<i>N</i>^3^-(2-hydroxybenzoyl)pyridine-2-carboxamidrazonato-κ^3^<i>N</i>^1^,<i>N</i>^2^,<i>O</i>]zinc(II)
Li, Yong; Acta Crystallographica Section E 63 (2007) m2837–m2837; doi:10.1107/S1600536807052750

data_2215890
_publ_section_title
Bis[<i>N</i>^3^-(2-hydroxybenzoyl)pyridine-2-carboxamidrazonato-\k^3^<i>N</i>^1^,<i>N</i>^2^,<i>O</i>]zinc(II)
_journal_coeditor_code           DN2252
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2837
_journal_page_last               m2837
_journal_paper_doi               10.1107/S1600536807052750
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C13 H11 N4 O2)2]'
_chemical_formula_moiety         'C26 H22 N8 O4 Zn'
_chemical_formula_sum            'C26 H22 N8 O4 Zn'
_chemical_formula_weight         575.89
_chemical_name_systematic
;
Bis[<i>N</i>^3^-(2-hydroxybenzoyl)pyridine-2-carboxamidrazonato-
\k^3^N^1^,N^2^,O]zinc(II)
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_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                 115.630(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.7704(9)
_cell_length_b                   13.1196(11)
_cell_length_c                   19.6427(14)
_cell_measurement_reflns_used    10850
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.35
_cell_volume                     2502.5(4)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2003)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXTL (Bruker, 2000)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0229
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            13224
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    1.033
_exptl_absorpt_correction_T_max  0.700
_exptl_absorpt_correction_T_min  0.636
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.529
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.853
_refine_diff_density_min         -0.474
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         4662
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0376
_refine_ls_R_factor_gt           0.0347
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0553P)^2^+1.8417P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.0978
_reflns_number_gt                4269
_reflns_number_total             4662
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2252.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2215890
_cod_database_fobs_code          2215890