<i>catena</i>-Poly[[[bis(3-hydroxynaphthalene-2-carboxylato)zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] hemihydrate]
Ling-Yun Zhang; Xian-Zhong Sun; Acta Crystallographica Section E 62 (2006) m2238–m2240; doi:10.1107/S1600536806029667

data_2210153
_publ_section_title
;<i>catena</i>-Poly[[[bis(3-hydroxynaphthalene-2-carboxylato)zinc(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 hemihydrate]
;
_journal_coeditor_code           CI2120
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2238
_journal_page_last               m2240
_journal_paper_doi               10.1107/S1600536806029667
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Zn (C11 H7 O3)2 (C10 H8 N2)], 0.5H2 O'
_chemical_formula_moiety         'C32 H22 N2 O6 Zn, 0.5H2 O1'
_chemical_formula_sum            'C32 H23 N2 O6.5 Zn'
_chemical_formula_weight         604.89
_chemical_name_systematic
;
catena-Poly[[[bis(3-hydroxynaphthalene-2-carboxylato)zinc(II)]-
\m-4,4'-bipyridine-\k^2^N:N'] hemihydrate]
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.100(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.432(3)
_cell_length_b                   10.8059(17)
_cell_length_c                   16.627(3)
_cell_measurement_reflns_used    100
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      2
_cell_volume                     2735.4(8)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART APEX area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14832
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.90
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.949
_exptl_absorpt_correction_T_max  0.8946
_exptl_absorpt_correction_T_min  0.8183
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.469
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.227
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         5906
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0737
_refine_ls_R_factor_gt           0.0426
_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^)+(0.0578P)^2^+0.8697P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1027
_refine_ls_wR_factor_ref         0.1216
_reflns_number_gt                3942
_reflns_number_total             5906
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2120.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2210153
_cod_database_fobs_code          2210153