Poly[[hexaaqua(μ~2~-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(μ~3~-pyridine-2,4-dicarboxylato-κ^4^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^)dicerium(III)] monohydrate]
Shen, Fwu Ming; Lush, Shie Fu; Acta Crystallographica Section E 68 (2012) m21–m22; doi:10.1107/S1600536811051956

data_2233324
_publ_section_title
;
 Poly[[hexaaqua(\m~2~-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(\m~3~-pyridine-2,4-dicarboxylato-\k^4^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^)dicerium(III)]
 monohydrate]
;
_journal_coeditor_code           XU5400
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m21
_journal_page_last               m22
_journal_paper_doi               10.1107/S1600536811051956
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ce2 (C7 H3 N O4)2 (C2 O4) (H2 O)6], H2 O'
_chemical_formula_moiety         '2(C8 H9 Ce N O9), H2 O'
_chemical_formula_sum            'C16 H20 Ce2 N2 O19'
_chemical_formula_weight         824.58
_chemical_name_systematic
;
Poly[[hexaaqua(\m~2~-oxalato-
\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis(\m~3~-pyridine-
2,4-dicarboxylato-
\k^4^<i>N</i>,<i>O</i>^1^:<i>O</i>^1'^:<i>O</i>^4^)dicerium(III)] monohydrate]
;
_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
_cell_angle_alpha                89.9170(10)
_cell_angle_beta                 85.5880(10)
_cell_angle_gamma                73.6760(10)
_cell_formula_units_Z            1
_cell_length_a                   6.4160(5)
_cell_length_b                   6.6486(6)
_cell_length_c                   13.9920(12)
_cell_measurement_reflns_used    4490
_cell_measurement_temperature    294
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.50
_cell_volume                     570.98(8)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'SMART (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      294
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0300
_diffrn_reflns_av_sigmaI/netI    0.0306
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6072
_diffrn_reflns_theta_full        27.80
_diffrn_reflns_theta_max         27.80
_diffrn_reflns_theta_min         1.46
_exptl_absorpt_coefficient_mu    4.037
_exptl_absorpt_correction_T_max  0.937
_exptl_absorpt_correction_T_min  0.639
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.398
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             398
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.745
_refine_diff_density_min         -2.698
_refine_ls_extinction_coef       0.0071(15)
_refine_ls_extinction_expression FC^*^=KFC[1+0.001XFC^2^\L^3^/SIN(2\Q)]^-1/4^
_refine_ls_extinction_method     'SHELXTL (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.102
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     177
_refine_ls_number_reflns         2664
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.102
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0279
_refine_ls_shift/su_max          0.019
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0523P)^2^+0.4154P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0794
_refine_ls_wR_factor_ref         0.0809
_reflns_number_gt                2416
_reflns_number_total             2664
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5400.cif
_cod_data_source_block           I
_cod_database_code               2233324
_cod_database_fobs_code          2233324