<i>catena</i>-Poly[[[bis[μ-3-(4-carboxyphenoxy)propionato]-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;κ^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[aqua(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cadmium]]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dinitrate]
Gao, Shan; Ng, Seik Weng; Acta Crystallographica Section E 68 (2012) m214–; doi:10.1107/S1600536812002991

data_2233400
_publ_section_title
;
 <i>catena</i>-Poly[[[bis[\m-3-(4-carboxyphenoxy)propionato]-\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;\k^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-bis[aqua(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)cadmium]]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 dinitrate]
;
_journal_coeditor_code           BT5796
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m214
_journal_paper_doi               10.1107/S1600536812002991
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Cd2 (C10 H9 O5)2 (C10 H8 N2)2 (C3 H7 N O)2 (H2 O)2] (N O3)2'
_chemical_formula_moiety         'C46 H52 Cd2 N6 O14 2+, 2(N O3 -)'
_chemical_formula_sum            'C46 H52 Cd2 N8 O20'
_chemical_formula_weight         1261.76
_chemical_name_systematic
;
<i>catena</i>-Poly[[[bis[\m-3-(4-carboxyphenoxy)propionato]-
\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^;
\k^3^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^-
bis[aqua(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)cadmium]]-\m-
4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>'] dinitrate]
;
_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                69.1646(11)
_cell_angle_beta                 84.2052(16)
_cell_angle_gamma                76.9358(16)
_cell_formula_units_Z            1
_cell_length_a                   9.1020(5)
_cell_length_b                   11.6866(5)
_cell_length_c                   13.3534(5)
_cell_measurement_reflns_used    10397
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.45
_cell_measurement_theta_min      3.17
_cell_volume                     1292.84(10)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalClear (Rigaku, 2002)'
_computing_molecular_graphics    'X-SEED (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       '\w scan'
_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  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0433
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12594
_diffrn_reflns_theta_full        27.45
_diffrn_reflns_theta_max         27.45
_diffrn_reflns_theta_min         3.17
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.907
_exptl_absorpt_correction_T_max  0.9068
_exptl_absorpt_correction_T_min  0.8465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.621
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             640
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.949
_refine_diff_density_min         -0.594
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     345
_refine_ls_number_reflns         5822
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0304
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0367P)^2^+0.2058P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0766
_reflns_number_gt                4760
_reflns_number_total             5822
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5796.cif
_cod_data_source_block           I
_cod_database_code               2233400
_cod_database_fobs_code          2233400