Poly[(μ~2~-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(μ~2~-furan-2-carboxylato-κ^2^<i>O</i>:<i>O</i>')cadmium(II)]
Man-Sheng Chen; Chun-Hua Zhang; Dai-Zhi Kuang; Yong-Lan Feng; Yi-Fang Deng; Acta Crystallographica Section E 63 (2007) m1290–m1291; doi:10.1107/S1600536807016777

data_2213484
_publ_section_title
Poly[(\m~2~-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')(\m~2~-furan-2-carboxylato-\k^2^<i>O</i>:<i>O</i>')cadmium(II)]
_journal_coeditor_code           NG2245
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1290
_journal_page_last               m1291
_journal_paper_doi               10.1107/S1600536807016777
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (C5 H3 O3)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C20 H14 Cd N2 O6'
_chemical_formula_sum            'C20 H14 Cd N2 O6'
_chemical_formula_weight         490.74
_chemical_name_systematic
;
Poly[(\m~2~-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')(furan-2-
carboxylato-\k^2^<i>O</i>:<i>O</i>')cadmium(II)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 109.455(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.984(3)
_cell_length_b                   11.686(2)
_cell_length_c                   10.0952(17)
_cell_measurement_reflns_used    2669
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.43
_cell_measurement_theta_min      2.16
_cell_volume                     1889.2(6)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2003)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Bruker SMART 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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0272
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5254
_diffrn_reflns_theta_full        26.47
_diffrn_reflns_theta_max         26.47
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    1.197
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.759048
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             976
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.228
_refine_diff_density_min         -0.309
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     134
_refine_ls_number_reflns         1940
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0375
_refine_ls_R_factor_gt           0.0282
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0388P)^2^+0.7963P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0710
_refine_ls_wR_factor_ref         0.0755
_reflns_number_gt                1584
_reflns_number_total             1940
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2245.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2213484
_cod_database_fobs_code          2213484