Poly[tetrakis(μ~4~-4,6-dimethyl-5-nitrobenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)bis(pyridine-κ<i>N</i>)dizinc]
Ma, Qing-Yu; Guan, Rui-Fang; Li, Guo-Zhong; Acta Crystallographica Section E 67 (2011) m586–; doi:10.1107/S1600536811013092

data_2230209
_publ_section_title
;
 Poly[tetrakis(\m~4~-4,6-dimethyl-5-nitrobenzene-1,3-dicarboxylato-\k^2^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)bis(pyridine-\k<i>N</i>)dizinc]
;
_journal_coeditor_code           ZS2089
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m586
_journal_paper_doi               10.1107/S1600536811013092
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Zn (C10 H7 N O6) (C5 H5 N)]'
_chemical_formula_moiety         'C15 H12 N2 O6 Zn'
_chemical_formula_sum            'C15 H12 N2 O6 Zn'
_chemical_formula_weight         381.64
_chemical_name_systematic
;
Poly[tetrakis(\m~4~-4,6-dimethyl-5-nitrobenzene-1,3-dicarboxylato-
\k^2^<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^3^:<i>O</i>^3'^)bis(pyridine-
\k<i>N</i>)dizinc]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 97.933(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.2947(9)
_cell_length_b                   11.8526(10)
_cell_length_c                   12.8501(11)
_cell_measurement_reflns_used    2968
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      26.1
_cell_measurement_theta_min      2.3
_cell_volume                     1553.0(2)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_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  0.0290
_diffrn_reflns_av_sigmaI/netI    0.0393
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            8899
_diffrn_reflns_theta_full        27.70
_diffrn_reflns_theta_max         27.70
_diffrn_reflns_theta_min         2.00
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.616
_exptl_absorpt_correction_T_max  0.879
_exptl_absorpt_correction_T_min  0.824
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             776
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.431
_refine_diff_density_min         -0.434
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3525
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0328
_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^)+(0.0353P)^2^+0.6981P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0748
_refine_ls_wR_factor_ref         0.0811
_reflns_number_gt                2750
_reflns_number_total             3525
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zs2089.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2230209
_cod_database_fobs_code          2230209