Bis{μ-2-[(2-oxidobenzylidene)aminomethyl]phenolato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>'}bis[(pyridine-κ<i>N</i>)zinc(II)]
Chun Yang; Ou-Yang Yan; Qing-Lun Wang; Dai-Zheng Liao; Acta Crystallographica Section E 64 (2008) m362–m362; doi:10.1107/S1600536808000962

data_2217397
_publ_section_title
Bis{\m-2-[(2-oxidobenzylidene)aminomethyl]phenolato-\k^3^<i>O</i>,<i>N</i>,<i>O</i>'}bis[(pyridine-\k<i>N</i>)zinc(II)]
_journal_coeditor_code           AT2532
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m362
_journal_page_last               m362
_journal_paper_doi               10.1107/S1600536808000962
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Zn2 (C14 H13 N O2)2 (C5 H5 N)2]'
_chemical_formula_moiety         'C38 H32 N4 O4 Zn2'
_chemical_formula_sum            'C38 H32 N4 O4 Zn2'
_chemical_formula_weight         739.42
_chemical_name_systematic
;
Bis{\m-2-[(2-oxidobenzylidene)aminomethyl]phenolato-
\k^3^<i>O</i>,<i>N</i>,<i>O</i>'}bis[(pyridine-\k<i>N</i>)zinc(II)]
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.063(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.145(6)
_cell_length_b                   13.806(8)
_cell_length_c                   12.671(8)
_cell_measurement_reflns_used    2807
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      24.29
_cell_measurement_theta_min      2.53
_cell_volume                     1735.5(18)
_computing_cell_refinement       'SAINT-NT (Bruker, 1998)'
_computing_data_collection       'SMART-NT (Bruker, 1998)'
_computing_data_reduction        'SAINT-NT (Bruker, 1998)'
_computing_molecular_graphics    'SHELXTL-NT (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL-NT (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX 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  0.0555
_diffrn_reflns_av_sigmaI/netI    0.0656
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            9656
_diffrn_reflns_theta_full        26.47
_diffrn_reflns_theta_max         26.47
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    1.427
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.693350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.415
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             760
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.399
_refine_diff_density_min         -0.317
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3561
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.000
_refine_ls_R_factor_all          0.0683
_refine_ls_R_factor_gt           0.0361
_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^)+(0.0341P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0731
_refine_ls_wR_factor_ref         0.0840
_reflns_number_gt                2440
_reflns_number_total             3561
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            at2532.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2217397
_cod_database_fobs_code          2217397