<i>catena</i>-Poly[[zinc-μ-[2-(2-{[2-(2-hydroxybenzoyl)hydrazinylidene]methyl}phenoxy)acetato(2‒)]] monohydrate]
Luo, Feihua; Yang, Li; Zhang, Ping; Liu, Dan; Acta Crystallographica Section E 67 (2011) m1608–; doi:10.1107/S1600536811043510

data_2232385
_publ_section_title
;
 <i>catena</i>-Poly[[zinc-\m-[2-(2-{[2-(2-hydroxybenzoyl)hydrazinylidene]methyl}phenoxy)acetato(2--)]]
 monohydrate]
;
_journal_coeditor_code           LH5346
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1608
_journal_paper_doi               10.1107/S1600536811043510
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Zn (C16 H12 N2 O5)], H2 O'
_chemical_formula_moiety         'C16 H12 N2 O5 Zn, H2 O'
_chemical_formula_sum            'C16 H14 N2 O6 Zn'
_chemical_formula_weight         395.66
_chemical_name_systematic
;
<i>catena</i>-Poly[[zinc-\m-[2-(2-{[2-(2-
hydroxybenzoyl)hydrazinylidene]methyl}phenoxy)acetato(2-)]] monohydrate]
;
_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                 106.620(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.730(2)
_cell_length_b                   5.4063(8)
_cell_length_c                   20.983(3)
_cell_measurement_reflns_used    3978
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.41
_cell_measurement_theta_min      2.80
_cell_volume                     1601.2(4)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_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 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 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  0.0921
_diffrn_reflns_av_sigmaI/netI    0.0639
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            9785
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.03
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.571
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.641
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.475
_refine_diff_density_min         -0.505
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     230
_refine_ls_number_reflns         3132
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0472
_refine_ls_R_factor_gt           0.0418
_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^)+(0.0552P)^2^+0.0104P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1058
_refine_ls_wR_factor_ref         0.1091
_reflns_number_gt                2764
_reflns_number_total             3132
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5346.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2232385
_cod_database_fobs_code          2232385