Bis[4-(dimethylamino)pyridine-κ<i>N</i>]bis(salicylato-κ<i>O</i>)zinc(II)
Kun-Hua Lin; Fei-Fei Zhang; Zhe-Yin Yu; Acta Crystallographica Section E 63 (2007) m1930–m1930; doi:10.1107/S1600536807028322

data_2214360
_publ_section_title
;
 Bis[4-(dimethylamino)pyridine-\k<i>N</i>]bis(salicylato-\k<i>O</i>)zinc(II)
;
_journal_coeditor_code           OM2121
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1930
_journal_page_last               m1930
_journal_paper_doi               10.1107/S1600536807028322
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C7 H5 O3)2 (C7 H10 N2)2]'
_chemical_formula_moiety         'C28 H30 N4 O6 Zn'
_chemical_formula_sum            'C28 H30 N4 O6 Zn'
_chemical_formula_weight         583.93
_chemical_name_systematic
;
Bis[4-(dimethylamino)pyridine-\k<i>N</i>]bis(salicylato-\k<i>O</i>)zinc(II)
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 93.583(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.961(2)
_cell_length_b                   7.5009(9)
_cell_length_c                   18.488(2)
_cell_measurement_reflns_used    2692
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.72
_cell_measurement_theta_min      2.21
_cell_volume                     2762.7(5)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'APEX2 (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2000)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEXII'
_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  0.0200
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            6850
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.21
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.937
_exptl_absorpt_correction_T_max  0.8347
_exptl_absorpt_correction_T_min  0.7663
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.583
_refine_diff_density_min         -0.290
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         2419
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0513
_refine_ls_R_factor_gt           0.0419
_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^)+(0.0463P)^2^+3.8555P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                2032
_reflns_number_total             2419
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om2121.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2214360
_cod_database_fobs_code          2214360