Poly[bis(μ~3~-benzene-1,3-dicarboxylato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis(benzene-1,3-dicarboxylato-κ<i>O</i>)(2-furan-2-yl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-κ^2^<i>N</i>,<i>N</i>')cadmium(II)]
Chuan-Bi Li; Yan-Wei Li; Bo liu; Wei Fang; Acta Crystallographica Section E 62 (2006) m2875–m2877; doi:10.1107/S1600536806040311

data_2211018
_publ_section_title
Poly[bis(\m~3~-benzene-1,3-dicarboxylato-\k^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''')bis(benzene-1,3-dicarboxylato-\k<i>O</i>)(2-furan-2-yl-1<i>H</i>-imidazo[4,5-<i>f</i>][1,10]phenanthroline-\k^2^<i>N</i>,<i>N</i>')cadmium(II)]
_journal_coeditor_code           HB2159
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2875
_journal_page_last               m2877
_journal_paper_doi               10.1107/S1600536806040311
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Cd (C8 H4 O4) (C17 H10 N4 O)]'
_chemical_formula_moiety         'C25 H14 Cd N4 O5'
_chemical_formula_sum            'C25 H14 Cd N4 O5'
_chemical_formula_weight         562.80
_chemical_name_systematic
;
Poly[bis-\m-benzene-1,3-dicarboxylato-\k^4^O,O':O'',O'''-bis(benzene-1,3-
dicarboxylato-O)(2-furan-2-yl-1H-imidazo[4,5-f]-1,10-phenanthroline-
\k^2^N,N')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                 110.740(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   15.0115(17)
_cell_length_b                   15.5106(19)
_cell_length_c                   18.965(2)
_cell_measurement_reflns_used    2096
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      22.21
_cell_measurement_theta_min      2.87
_cell_volume                     4129.6(8)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXTL-Plus
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX CCD area-detector'
_diffrn_measurement_method       \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  0.0405
_diffrn_reflns_av_sigmaI/netI    0.0494
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11046
_diffrn_reflns_theta_full        26.08
_diffrn_reflns_theta_max         26.08
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    1.108
_exptl_absorpt_correction_T_max  0.931
_exptl_absorpt_correction_T_min  0.905
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2240
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.592
_refine_diff_density_min         -0.538
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.973
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     316
_refine_ls_number_reflns         4092
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.973
_refine_ls_R_factor_all          0.0674
_refine_ls_R_factor_gt           0.0419
_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^)+(0.0571P)^2^+9.4388P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1158
_reflns_number_gt                2910
_reflns_number_total             4092
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2159.cif
_cod_data_source_block           I
_cod_original_cell_volume        4129.7(8)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2211018
_cod_database_fobs_code          2211018