<i>catena</i>-Poly[zinc(II)-μ-aqua-κ^2^<i>O</i>:<i>O</i>-bis(μ-quinoline-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')]
Chen, Jin-Xi; Meng, Wei-Wei; Acta Crystallographica Section E 65 (2009) m873–; doi:10.1107/S1600536809025392

data_2222863
_publ_section_title
<i>catena</i>-Poly[zinc(II)-\m-aqua-\k^2^<i>O</i>:<i>O</i>-bis(\m-quinoline-4-carboxylato-\k^2^<i>O</i>:<i>O</i>')]
_journal_coeditor_code           RZ2342
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m873
_journal_paper_doi               10.1107/S1600536809025392
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Zn (C10 H6 N O2)2 (H2 O)]'
_chemical_formula_moiety         'C20 H14 N2 O5 Zn'
_chemical_formula_sum            'C20 H14 N2 O5 Zn'
_chemical_formula_weight         427.72
_chemical_name_systematic
;
<i>catena</i>-Poly[zinc(II)-\m-aqua-\k^2^<i>O</i>:<i>O</i>-bis(\m-quinoline-
4-carboxylato-\k^2^<i>O</i>:<i>O</i>')]
;
_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                 91.961(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.929(2)
_cell_length_b                   14.4025(13)
_cell_length_c                   7.5428(11)
_cell_measurement_reflns_used    30
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      3.30
_cell_volume                     1620.9(4)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku SCXmini'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0227
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            5552
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.30
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.555
_exptl_absorpt_correction_T_max  0.732
_exptl_absorpt_correction_T_min  0.635
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku/MSC, 2005)'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.753
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.384
_refine_diff_density_min         -0.820
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     129
_refine_ls_number_reflns         1831
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0261
_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^)+(0.0375P)^2^+1.5104P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0676
_refine_ls_wR_factor_ref         0.0689
_reflns_number_gt                1741
_reflns_number_total             1831
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rz2342.cif
_cod_data_source_block           I
_cod_original_cell_volume        1620.8(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2222863
_cod_database_fobs_code          2222863