Poly[(μ~4~-biphenyl-2,4'-dicarboxylato-κ^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]
Tian, Yu-Guang; Acta Crystallographica Section E 68 (2012) m1276–; doi:10.1107/S1600536812038901

data_2236345
_publ_section_title
;
 Poly[(\m~4~-biphenyl-2,4'-dicarboxylato-\k^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]
;
_journal_coeditor_code           HY2581
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1276
_journal_paper_doi               10.1107/S1600536812038901
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Zn (C14 H8 O4)]'
_chemical_formula_moiety         'C14 H8 O4 Zn'
_chemical_formula_sum            'C14 H8 O4 Zn'
_chemical_formula_weight         305.59
_chemical_name_systematic
;
Poly[(\m~4~-biphenyl-2,4'-dicarboxylato-\k^5^O^2^:O^2'^:O^4^:O^4^,O^4'^)zinc]
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.702(8)
_cell_length_b                   7.178(4)
_cell_length_c                   25.368(15)
_cell_measurement_reflns_used    1609
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.66
_cell_measurement_theta_min      2.27
_cell_volume                     2313(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0595
_diffrn_reflns_av_sigmaI/netI    0.0438
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            10978
_diffrn_reflns_theta_full        25.19
_diffrn_reflns_theta_max         25.19
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    2.129
_exptl_absorpt_correction_T_max  0.682
_exptl_absorpt_correction_T_min  0.606
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.755
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1232.0
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.432
_refine_diff_density_min         -0.443
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     172
_refine_ls_number_reflns         2080
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0660
_refine_ls_R_factor_gt           0.0364
_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^)+(0.0310P)^2^+1.2131P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0856
_reflns_number_gt                1453
_reflns_number_total             2080
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2581.cif
_cod_data_source_block           I
_cod_database_code               2236345
_cod_database_fobs_code          2236345