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>^2^:<i>O</i>^2'^:<i>O</i>^4^)dilanthanum(III)] monohydrate]
Shen, Fwu Ming; Lush, Shie Fu; Acta Crystallographica Section E 67 (2011) m1731–m1732; doi:10.1107/S160053681104668X

data_2233010
_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>^2^:<i>O</i>^2'^:<i>O</i>^4^)dilanthanum(III)]
 monohydrate]
;
_journal_coeditor_code           XU5376
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1731
_journal_page_last               m1732
_journal_paper_doi               10.1107/S160053681104668X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[La2 (C7 H3 N O4)2 (C2 O4) (H2 O)6], H2 O'
_chemical_formula_moiety         'C16 H18 La2 N2 O18, H2 O'
_chemical_formula_sum            'C16 H20 La2 N2 O19'
_chemical_formula_weight         822.16
_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>^2^:<i>O</i>^2'^:<i>O</i>^4^)
dilanthanum(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                89.735(2)
_cell_angle_beta                 85.266(2)
_cell_angle_gamma                73.135(2)
_cell_formula_units_Z            1
_cell_length_a                   6.4614(8)
_cell_length_b                   6.6844(8)
_cell_length_c                   14.0796(17)
_cell_measurement_reflns_used    3390
_cell_measurement_temperature    295
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.50
_cell_volume                     579.85(12)
_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      295
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0351
_diffrn_reflns_av_sigmaI/netI    0.0369
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5023
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    3.734
_exptl_absorpt_correction_T_max  0.950
_exptl_absorpt_correction_T_min  0.686
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.355
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       columnar
_exptl_crystal_F_000             396
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.135
_refine_diff_density_min         -2.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     175
_refine_ls_number_reflns         2046
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0324
_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^)+(0.0639P)^2^]   where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0903
_refine_ls_wR_factor_ref         0.0929
_reflns_number_gt                1795
_reflns_number_total             2046
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5376.cif
_cod_data_source_block           I
_cod_database_code               2233010