A new three-dimensional neutral framework of lanthanum oxalate: [La~2~(C~2~O~4~)~3~(DMF)(H~2~O)~3~]~<i>n~</i>
Wang, Jingen; Huang, Xihe; Huang, Changcang; Song, Haiyan; Yang, Duoping; Acta Crystallographica Section C 63 (2007) m583–m585; doi:10.1107/S0108270107053292

data_2016361
_publ_section_title
;
 A new three-dimensional neutral framework of lanthanum oxalate:
 [La~2~(C~2~O~4~)~3~(DMF)(H~2~O)~3~]~<i>n~</i>
;
_journal_coeditor_code           SQ3099
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m583
_journal_page_last               m585
_journal_paper_doi               10.1107/S0108270107053292
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[La2 (C2 O4)3 (C3 H7 N O) (H2 O)3]'
_chemical_formula_moiety         'C9 H13 La2 N O16'
_chemical_formula_sum            'C9 H13 La2 N O16'
_chemical_formula_weight         669.02
_chemical_name_systematic
;
poly[triaquabis(dimethylformamide)di-\m~3~-oxalato-\m~2~-oxalato-\
dilanthanum(III)]
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 109.43(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.392(2)
_cell_length_b                   10.224(2)
_cell_length_c                   8.7073(17)
_cell_measurement_reflns_used    7311
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.56
_cell_measurement_theta_min      3.18
_cell_volume                     872.4(3)
_computing_cell_refinement       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_data_reduction        'RAPID-AUTO (Rigaku Corporation, 1998)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 1993)'
_computing_publication_material  'SHELXL97-2 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       Oscillation
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating-anode X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0463
_diffrn_reflns_av_sigmaI/netI    0.0405
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8351
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.18
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.918
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.547
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.190
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.524
_refine_diff_density_min         -1.100
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     143
_refine_ls_number_reflns         2008
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0303
_refine_ls_R_factor_gt           0.0261
_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^)+(0.0157P)^2^+1.7609P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0560
_refine_ls_wR_factor_ref         0.0579
_reflns_number_gt                1779
_reflns_number_total             2011
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq3099.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2016361
_cod_database_fobs_code          2016361