<i>catena</i>-Poly[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-4-carboxylatophenoxyacetato-κ^3^<i>O</i>:<i>O</i>^4^,<i>O</i>^4'^]
Yang, Yan; Zeng, Ming-Hua; Meng, Fa-Yan; Liang, Hong; Acta Crystallographica Section C 62 (2006) m392–m394; doi:10.1107/S0108270106026783

data_2015575
_publ_section_title
<i>catena</i>-Poly[[aqua(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cadmium(II)]-\m-4-carboxylatophenoxyacetato-\k^3^<i>O</i>:<i>O</i>^4^,<i>O</i>^4'^]
_journal_coeditor_code           OB3012
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m392
_journal_page_last               m394
_journal_paper_doi               10.1107/S0108270106026783
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cd (C9 H6 O5) (C10 H8 N2) (H2 O)]'
_chemical_formula_moiety         'C19 H16 Cd N2 O6'
_chemical_formula_sum            'C19 H16 Cd N2 O6'
_chemical_formula_weight         480.74
_chemical_name_systematic
;
catena-Poly[[aqua(2,2'-bipyridine-\k^2^N,N')cadmium(II)]-\m-4-
carboxylatophenoxyacetato-\k^3^O,O':O'']
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.799(2)
_cell_length_b                   15.834(5)
_cell_length_c                   16.441(5)
_cell_measurement_reflns_used    947
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.82
_cell_measurement_theta_min      2.48
_cell_volume                     1770.0(9)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker APEX area-detector'
_diffrn_measurement_method       '\f and \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  0.0283
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            10675
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         2.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.275
_exptl_absorpt_correction_T_max  0.8124
_exptl_absorpt_correction_T_min  0.6498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.37
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.562
_refine_diff_density_min         -0.270
_refine_ls_abs_structure_details 'Flack (1983), 1617 Friedel pairs'
_refine_ls_abs_structure_Flack   0.36(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3866
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0343
_refine_ls_R_factor_gt           0.0261
_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^)+(0.0231P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0477
_refine_ls_wR_factor_ref         0.0502
_reflns_number_gt                3417
_reflns_number_total             3866
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob3012.cif
_cod_data_source_block           I
_cod_original_cell_volume        1769.9(9)
_cod_database_code               2015575
_cod_database_fobs_code          2015575