<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium]-μ~3~-4-nitrophthalato-κ^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']
Fan, Yang; Xu, Guo-Min; Lu, Hai-Ting; Li, Wei; Acta Crystallographica Section E 67 (2011) m199–m200; doi:10.1107/S1600536811000468

data_2229281
_publ_section_title
;
 <i>catena</i>-Poly[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cadmium]-\m~3~-4-nitrophthalato-\k^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']
;
_journal_coeditor_code           XU5128
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m199
_journal_page_last               m200
_journal_paper_doi               10.1107/S1600536811000468
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (C8 H3 N O6) (C10 H8 N2)]'
_chemical_formula_moiety         'C18 H11 Cd N3 O6'
_chemical_formula_sum            'C18 H11 Cd N3 O6'
_chemical_formula_weight         477.70
_chemical_name_systematic
;
<i>catena</i>-Poly[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cadmium]-
\m~3~-4-nitrophthalato-\k^4^<i>O</i>:<i>O</i>',<i>O</i>'':<i>O</i>''']
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_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                 98.149(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.3327(4)
_cell_length_b                   17.3786(9)
_cell_length_c                   13.3859(7)
_cell_measurement_reflns_used    5075
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      2.8
_cell_volume                     1688.57(15)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEXII 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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            19676
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         1.93
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.338
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.879
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.443
_refine_diff_density_min         -0.314
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0254
_refine_ls_R_factor_gt           0.0218
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0234P)^2^+1.1148P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0507
_refine_ls_wR_factor_ref         0.0526
_reflns_number_gt                3452
_reflns_number_total             3825
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            xu5128.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2229281
_cod_database_fobs_code          2229281