<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]-μ-phthalato-κ^2^<i>O</i>:<i>O</i>']
Wang, Xiao-Yan; Dong, Chen-Chen; Deng, Xiao-Tao; Wang, Cheng-Gang; Hu, Bo; Acta Crystallographica Section E 63 (2007) m2079–m2079; doi:10.1107/S1600536807032035

data_2214752
_publ_section_title
<i>catena</i>-Poly[[diaqua(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cadmium(II)]-\m-phthalato-\k^2^<i>O</i>:<i>O</i>']
_journal_coeditor_code           IM2023
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2079
_journal_page_last               m2079
_journal_paper_doi               10.1107/S1600536807032035
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (C8 H4 O4) (C10 H8 N2) (H2 O)2]'
_chemical_formula_moiety         'C18 H16 Cd N2 O6'
_chemical_formula_sum            'C18 H16 Cd N2 O6'
_chemical_formula_weight         468.73
_chemical_name_systematic
;
catena-Poly[[diaqua(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cadmium(II)]-
\m-phthalato-\k^2^O:O']
;
_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                92.6760(10)
_cell_angle_beta                 100.8090(10)
_cell_angle_gamma                90.3820(10)
_cell_formula_units_Z            2
_cell_length_a                   7.1268(5)
_cell_length_b                   10.0900(8)
_cell_length_c                   12.2110(9)
_cell_measurement_reflns_used    4016
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.25
_cell_measurement_theta_min      2.58
_cell_volume                     861.46(11)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART 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  0.0533
_diffrn_reflns_av_sigmaI/netI    0.0458
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5178
_diffrn_reflns_theta_full        25.75
_diffrn_reflns_theta_max         25.75
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    1.307
_exptl_absorpt_correction_T_max  0.9718
_exptl_absorpt_correction_T_min  0.6229
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.766
_refine_diff_density_min         -1.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.172
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3237
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0343
_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^)+(0.0547P)^2^+0.8703P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0866
_refine_ls_wR_factor_ref         0.1055
_reflns_number_gt                2993
_reflns_number_total             3237
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            im2023.cif
_cod_data_source_block           I
_cod_original_cell_volume        861.50(10)
_cod_database_code               2214752
_cod_database_fobs_code          2214752