data_0-TOPOS_JIRPIK_sqc1387
_database_code_CSD                  JIRPIK
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc1387
_chemical_name_systematic
;
catena-(bis(\m~3~-Oxalato)-(\m~2~-oxalato)-triaqua-(dimethylformamide
)-di-lanthanum(iii)). 
;
_chemical_formula_sum               'La0 V0'
_citation_journal_abbrev            'ACTA CRYSTALLOGR.,SECT.C:CRYST.STRUCT.COMMUN.'
_citation_year                      2007
_citation_journal_volume            63
_citation_page_first                m583
_citation_special_details
;
Experiment details: The dimethylformamide ligand has imposed disorder
.. File: search24.cif. 
CENTAT: La1 La2
SIMPLIG: Sc=C6H12NO Ti=H2O 
V=C2O4| 
;
loop_
_publ_author_name
'Jingen WANG'
'Xihe HUANG'
'Changcang HUANG'
'Haiyan SONG'
'Duoping YANG'
_cell_length_a                      10.392
_cell_length_b                      10.224
_cell_length_c                      8.7073
_cell_angle_alpha                   90
_cell_angle_beta                    109.43
_cell_angle_gamma                   90
_cell_volume                        872.444
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 2/c'
_symmetry_Int_Tables_number         13
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La2 La 2 0.50000 0.23575 0.75000 1.0000
V1 V 4 0.23155 0.36450 0.47280 1.0000
La1 La 2 0.00000 0.43195 0.75000 1.0000
loop_
_topol_link.node_label_1
_topol_link.node_label_2
_topol_link.distance
_topol_link.site_symmetry_symop_1
_topol_link.site_symmetry_translation_1_x
_topol_link.site_symmetry_translation_1_y
_topol_link.site_symmetry_translation_1_z
_topol_link.site_symmetry_symop_2
_topol_link.site_symmetry_translation_2_x
_topol_link.site_symmetry_translation_2_y
_topol_link.site_symmetry_translation_2_z
_topol_link.type
_topol_link.multiplicity
La2 La2 6.4956 1 0 0 0 3 1 0 1 v 2
La2 V1 3.2956 1 0 0 0 1 0 0 0 v 4
V1 La1 3.2832 1 0 0 0 3 0 1 1 v 4
V1 La1 3.9944 1 0 0 0 1 0 0 0 v 4
#End of data_0-TOPOS_JIRPIK_sqc1387