<i>catena</i>-Poly[[bis(benzene-1,3-dicarboxylato-κ^2^<i>O</i>,<i>O</i>')zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Xiu-Mei Li; Yan-Hui Dong; Qing-Wei Wang; Bo Liu; Acta Crystallographica Section E 63 (2007) m1839–m1840; doi:10.1107/S1600536807027067

data_2214268
_publ_section_title
<i>catena</i>-Poly[[bis(benzene-1,3-dicarboxylato-\k^2^<i>O</i>,<i>O</i>')zinc(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
_journal_coeditor_code           HY2062
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1839
_journal_page_last               m1840
_journal_paper_doi               10.1107/S1600536807027067
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C8 H5 O4)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C26 H18 N2 O8 Zn'
_chemical_formula_sum            'C26 H18 N2 O8 Zn'
_chemical_formula_weight         551.79
_chemical_name_systematic
;
catena-Poly[[bis(benzene-1,3-dicarboxylato-\k^2^O,O')zinc(II)]-
\m-4,4'-bipyridine-\k^2^N:N']
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 125.884(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.940(3)
_cell_length_b                   9.6078(12)
_cell_length_c                   14.7942(19)
_cell_measurement_reflns_used    2132
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      26.07
_cell_measurement_theta_min      2.40
_cell_volume                     2411.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      292(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0413
_diffrn_reflns_av_sigmaI/netI    0.0329
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6569
_diffrn_reflns_theta_full        26.07
_diffrn_reflns_theta_max         26.07
_diffrn_reflns_theta_min         2.40
_exptl_absorpt_coefficient_mu    1.073
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.890
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.520
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.123
_exptl_crystal_size_mid          0.089
_exptl_crystal_size_min          0.046
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.395
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     168
_refine_ls_number_reflns         2385
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0328
_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^)+(0.0583P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0913
_reflns_number_gt                2096
_reflns_number_total             2385
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2062.cif
_cod_data_source_block           I
_cod_original_cell_volume        2411.4(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2214268
_cod_database_fobs_code          2214268