<i>catena</i>-Poly[[[aquabis[3-(4-carboxyphenoxy)propionato-κ^2^<i>O</i>,<i>O</i>']zinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
Li-Li Kong; Shan Gao; Li-Hua Huo; Acta Crystallographica Section E 63 (2007) m2791–m2792; doi:10.1107/S1600536807050611

data_2215761
_publ_section_title
;<i>catena</i>-Poly[[[aquabis[3-(4-carboxyphenoxy)propionato-\k^2^<i>O</i>,<i>O</i>']zinc(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 dihydrate]
;
_journal_coeditor_code           BG2117
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2791
_journal_page_last               m2792
_journal_paper_doi               10.1107/S1600536807050611
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Zn (C10 H9 O5)2 (C10 H8 N2) (H2 O)], 2H2 O'
_chemical_formula_moiety         'C30 H28 N2 O11 Zn, 2(H2 O)'
_chemical_formula_sum            'C30 H32 N2 O13 Zn'
_chemical_formula_weight         693.95
_chemical_name_systematic
;
<i>catena</i>-Poly[[[aquabis[3-(4-carboxyphenoxy)propionato-
\k^2^<i>O</i>,O']zinc(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
dihydrate]
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.54(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.109(2)
_cell_length_b                   6.0063(12)
_cell_length_c                   22.871(5)
_cell_measurement_reflns_used    9291
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.39
_cell_volume                     1526.0(5)
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_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  0.0522
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            14159
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.39
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.876
_exptl_absorpt_correction_T_max  0.8582
_exptl_absorpt_correction_T_min  0.7914
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             720
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.779
_refine_diff_density_min         -0.735
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.116
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         3498
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.115
_refine_ls_R_factor_all          0.0801
_refine_ls_R_factor_gt           0.0391
_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^)+(0.0497P)^2^+0.3569P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.1176
_reflns_number_gt                2191
_reflns_number_total             3498
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg2117.cif
_cod_data_source_block           I
_cod_original_cell_volume        1525.9(5)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2215761
_cod_database_fobs_code          2215761