<i>catena</i>-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato-κ^2^<i>O</i>,<i>O</i>')cadmium(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>] monohydrate]
E Yang; Rong-Qiang Zhuang; Jian-Xin Chen; Acta Crystallographica Section C 62 (2006) m612–m613; doi:10.1107/S0108270106046038

data_2015676
_publ_section_title
;<i>catena</i>-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato-\k^2^<i>O</i>,<i>O</i>')cadmium(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>]
 monohydrate]
;
_journal_coeditor_code           BG3020
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m612
_journal_page_last               m613
_journal_paper_doi               10.1107/S0108270106046038
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cd (C8 H11 O4)2 (C10 H8 N2) (H2 O)], H2 O'
_chemical_formula_moiety         'C26 H32 Cd N2 O9, H2 O'
_chemical_formula_sum            'C26 H34 Cd N2 O10'
_chemical_formula_weight         646.96
_chemical_name_systematic
;
catena-Poly[[[<i>cis</i>-aquabis(4-carboxycyclohexane-1-carboxylato-
\k^2^O,O')cadmium(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>]
monohydrate]
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_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                   11.6450(2)
_cell_length_b                   15.1490(2)
_cell_length_c                   15.1940(2)
_cell_measurement_reflns_used    7205
_cell_measurement_temperature    130(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.21
_cell_volume                     2680.38(7)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
;
DIAMOND (Bergerhoff <i>et al.</i>,  1996)
;
_computing_publication_material  'SHELXTL (Siemens, 1996)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Siemens SMART 1K CCD 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  0.0153
_diffrn_reflns_av_sigmaI/netI    0.0090
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            15765
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.21
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.875
_exptl_absorpt_correction_T_max  0.82
_exptl_absorpt_correction_T_min  0.59
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.603
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.5000
_exptl_crystal_size_mid          0.3400
_exptl_crystal_size_min          0.2300
_refine_diff_density_max         0.308
_refine_diff_density_min         -0.508
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2353
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_gt           0.0221
_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^)+(0.0389P)^2^+2.4163P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0667
_reflns_number_gt                2319
_reflns_number_total             2353
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg3020.cif
_cod_data_source_block           I
_cod_database_code               2015676
_cod_database_fobs_code          2015676