Bis(2-aminopyridine-<i>N</i>)bis(benzoato-<i>O</i>)zinc
Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Zhao, Pu-Su; Jian, Fang-Fang; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin; Acta Crystallographica Section C 56 (2000) 742–743; doi:10.1107/S0108270100003462

data_2011142
_publ_section_title
;
 Bis(2-aminopyridine-<i>N</i>)bis(benzoato-<i>O</i>)zinc
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              742
_journal_page_last               743
_journal_paper_doi               10.1107/S0108270100003462
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Zn (C7 H5 O2)2 (C5 H6 N2)2]'
_chemical_formula_sum            'C24 H22 N4 O4 Zn'
_chemical_formula_weight         495.83
_chemical_name_systematic
;
Bis(2-aminopyridine-N)zinc dibenzoate
;
_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'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.3360(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.3597(7)
_cell_length_b                   9.9400(3)
_cell_length_c                   12.0064(4)
_cell_measurement_reflns_used    6408
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.37
_cell_measurement_theta_min      2.16
_cell_volume                     2247.50(13)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material
'SHELXTL, PARST (Nardelli, 1995) and PLATON (Spek, 1990)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full .970
_diffrn_measured_fraction_theta_max .970
_diffrn_measurement_device_type  'Siemens SMART CCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .072
_diffrn_reflns_av_sigmaI/netI    .082
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7990
_diffrn_reflns_theta_full        28.59
_diffrn_reflns_theta_max         28.59
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    1.13
_exptl_absorpt_correction_T_max  .876
_exptl_absorpt_correction_T_min  .636
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.47
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       slab
_exptl_crystal_F_000             1024
_exptl_crystal_size_max          .44
_exptl_crystal_size_mid          .22
_exptl_crystal_size_min          .12
_refine_diff_density_max         1.242
_refine_diff_density_min         -.856
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     150
_refine_ls_number_reflns         2785
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          .087
_refine_ls_R_factor_gt           .061
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1089P)^2^+3.7360P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .111
_reflns_number_gt                2151
_reflns_number_total             2785
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            na1461.cif
_cod_data_source_block           I
_cod_original_cell_volume        2247.49(13)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2011142
_cod_database_fobs_code          2011142