<i>catena</i>-Poly[[[bis(4-pyridinealdoxime-κ<i>N</i>^1^)zinc]-μ-benzene-1,4-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^4^] 4-pyridinealdoxime monosolvate]
Kumagai, Hitoshi; Kawata, Satoshi; Sakamoto, Yoshiyuki; Acta Crystallographica Section E 69 (2013) m216–; doi:10.1107/S1600536813006107

data_2237649
_publ_section_title
;
 <i>catena</i>-Poly[[[bis(4-pyridinealdoxime-\k<i>N</i>^1^)zinc]-\m-benzene-1,4-dicarboxylato-\k^2^<i>O</i>^1^:<i>O</i>^4^]
 4-pyridinealdoxime monosolvate]
;
_journal_coeditor_code           IS5248
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m216
_journal_paper_doi               10.1107/S1600536813006107
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Zn (C8 H4 O4) (C6 H6 N2 O)2], C6 H6 N2 O'
_chemical_formula_moiety         'C20 H16 N4 O6 Zn, C6 H6 N2 O'
_chemical_formula_sum            'C26 H22 N6 O7 Zn'
_chemical_formula_weight         595.88
_chemical_name_systematic
;<i>catena</i>-Poly[[[bis(4-pyridinealdoxime-\k<i>N</i>^1^)zinc]-\m-benzene-1,4-dicarboxylato-\k^2^<i>O</i>^1^:<i>O</i>^4^] 4-pyridinealdoxime
monosolvate]
;
_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                90.0000
_cell_angle_beta                 98.516(3)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   7.583(3)
_cell_length_b                   15.831(6)
_cell_length_c                   21.906(8)
_cell_measurement_reflns_used    5655
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.00
_cell_volume                     2600.7(17)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_computing_molecular_graphics    'CrystalStructure (Rigaku, 2010)'
_computing_publication_material  'CrystalStructure (Rigaku, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2008 (Burla <i>et al.</i>, 2007)'
_diffrn_ambient_temperature      293
_diffrn_detector_area_resol_mean 7.314
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury70'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0185
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            24675
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.003
_exptl_absorpt_correction_T_max  0.860
_exptl_absorpt_correction_T_min  0.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>REQAB</i>; Rigaku, 1998)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1224.00
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.150
_refine_diff_density_max         0.340
_refine_diff_density_min         -0.270
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_number_parameters     373
_refine_ls_number_reflns         5922
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0296
_refine_ls_shift/su_max          0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0395P)^2^+0.8505P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0782
_reflns_number_gt                5402
_reflns_number_total             5922
_reflns_threshold_expression     F^2^>2\s(F^2^)
_cod_data_source_file            is5248.cif
_cod_data_source_block           I
_cod_original_cell_volume        2600.7(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2237649
_cod_database_fobs_code          2237649