<i>catena</i>-Poly[4,4'-bipyridinium [[tetraaqua(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cerate(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-[(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cerate(III)]-μ-pyridine-2,6-dicarboxylato-κ^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^] pentahydrate]
Aghabozorg, Hossein; Omidvar, Sara; Mirzaei, Masoud; Notash, Behrouz; Acta Crystallographica Section E 67 (2011) m335–m336; doi:10.1107/S1600536811004995

data_2229408
_publ_section_title
;
 <i>catena</i>-Poly[4,4'-bipyridinium
 [[tetraaqua(pyridine-2,6-dicarboxylato-\k^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cerate(III)]-\m-pyridine-2,6-dicarboxylato-\k^4^<i>O</i>^2^:<i>O</i>^2'^,<i>N</i>,<i>O</i>^6^-[(pyridine-2,6-dicarboxylato-\k^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)cerate(III)]-\m-pyridine-2,6-dicarboxylato-\k^4^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^]
 pentahydrate]
;
_journal_coeditor_code           HY2405
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m335
_journal_page_last               m336
_journal_paper_doi               10.1107/S1600536811004995
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'(C10 H10 N2) [Ce2 (C7 H3 N O4)4 (H2 O)4], 5H2 O'
_chemical_formula_moiety
'C10 H10 N2 2+, C28 H20 Ce2 N4 O20 2-, 5(H2 O)'
_chemical_formula_sum            'C38 H40 Ce2 N6 O25'
_chemical_formula_weight         1261
_chemical_name_systematic
;
<i>catena</i>-Poly[4,4'-bipyridinium
[[tetraaqua(pyridine-2,6-dicarboxylato-\k^3^<i>O</i>^2^,<i>N</i>,<i>O</i>^6^)
cerate(III)]-\m-pyridine-2,6-dicarboxylato-\k^4^<i>O</i>^2^:<i>O</i>^2'^,
<i>N</i>,<i>O</i>^6^-[(pyridine-2,6-dicarboxylato-\k^3^<i>O</i>^2^,<i>N</i>,
<i>O</i>^6^)cerate(III)]-\m-pyridine-2,6-dicarboxylato-\k^4^<i>O</i>^2^,
<i>N</i>,<i>O</i>^6^:<i>O</i>^6'^] pentahydrate]
;
_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                99.95(3)
_cell_angle_beta                 99.87(3)
_cell_angle_gamma                104.58(3)
_cell_formula_units_Z            2
_cell_length_a                   13.010(3)
_cell_length_b                   13.453(3)
_cell_length_c                   13.586(3)
_cell_measurement_reflns_used    11857
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.13
_cell_measurement_theta_min      2.48
_cell_volume                     2208.3(10)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-AREA (Stoe & Cie, 2005)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Stoe IPDS II'
_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  0.0775
_diffrn_reflns_av_sigmaI/netI    0.0562
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            25469
_diffrn_reflns_theta_full        29.13
_diffrn_reflns_theta_max         29.13
_diffrn_reflns_theta_min         2.48
_exptl_absorpt_coefficient_mu    2.137
_exptl_absorpt_correction_T_max  0.805
_exptl_absorpt_correction_T_min  0.440
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(X-SHAPE and X-RED32; Stoe & Cie, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.896
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.959
_refine_diff_density_min         -2.009
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.051
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     716
_refine_ls_number_reflns         11857
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.052
_refine_ls_R_factor_all          0.0523
_refine_ls_R_factor_gt           0.0448
_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^)+(0.0640P)^2^+5.1288P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1158
_refine_ls_wR_factor_ref         0.1204
_reflns_number_gt                10379
_reflns_number_total             11857
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2405.cif
_cod_data_source_block           I
_cod_database_code               2229408
_cod_database_fobs_code          2229408