Poly[[(2,2'-bipyridine)(<i>{μ</i>}~3~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmium] monohydrate]
Zhang, Ling-Ling; Li, Shi-Kun; Feng, Jie; Lin, Qiu-Yue; Acta Crystallographica Section E 67 (2011) m1390–m1391; doi:10.1107/S1600536811036634

data_2232123
_publ_section_title
;
 Poly[[(2,2'-bipyridine)(<i>{\m</i>}~3~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato)cadmium]
 monohydrate]
;
_journal_coeditor_code           ZB2016
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1390
_journal_page_last               m1391
_journal_paper_doi               10.1107/S1600536811036634
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (C8 H8 O5) (C10 H8 N2)], H2 O'
_chemical_formula_moiety         'C18 H16 Cd N2 O5, H2 O'
_chemical_formula_sum            'C18 H18 Cd N2 O6'
_chemical_formula_weight         470.75
_chemical_name_systematic
;
Poly[[(2,2'-bipyridine)(\m~3~-7-oxabicyclo[2.2.1]heptane-2,3-
dicarboxylato)cadmium] monohydrate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                111.7840(10)
_cell_angle_beta                 94.0660(10)
_cell_angle_gamma                102.7490(10)
_cell_formula_units_Z            2
_cell_length_a                   8.25990(10)
_cell_length_b                   10.5950(2)
_cell_length_c                   11.1097(2)
_cell_measurement_reflns_used    7860
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      2.00
_cell_volume                     867.94(3)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker SMART APEXII CCD'
_diffrn_measurement_method       '\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  0.0206
_diffrn_reflns_av_sigmaI/netI    0.0212
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            13190
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    1.298
_exptl_absorpt_correction_T_max  .918
_exptl_absorpt_correction_T_min  .803
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             472
_exptl_crystal_size_max          .333
_exptl_crystal_size_mid          .141
_exptl_crystal_size_min          .066
_refine_diff_density_max         0.335
_refine_diff_density_min         -0.564
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.952
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     250
_refine_ls_number_reflns         3972
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.955
_refine_ls_R_factor_all          0.0242
_refine_ls_R_factor_gt           0.0221
_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^)+(0.0358P)^2^+0.5090P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0578
_refine_ls_wR_factor_ref         0.0592
_reflns_number_gt                3699
_reflns_number_total             3972
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            zb2016.cif
_cod_data_source_block           global
_cod_original_cell_volume        867.94(2)
_cod_database_code               2232123