data_0-TOPOS_VIVLAP_6/4/t7;sqc885
_database_code_CSD                  VIVLAP
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        6/4/t7;sqc885
_chemical_name_systematic
;
catena-[(\m~6~-3,3',3''-(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tr
ipropanoato)-aqua-terbium(iii) N,N-dimethylformamide solvate]. 
;
_chemical_formula_sum               'Tb0 Sc0'
_citation_journal_abbrev            Z.ANORG.ALLG.CHEM.
_citation_year                      2014
_citation_journal_volume            640
_citation_page_first                390
_citation_special_details
;
Experiment details: Disordered N,N-dimethylformamide solvent molecule
s were not modelled and thedisordered density was taken into account 
using the SQUEEZE/PLATON procedure.. File: search24.cif. 
CENTAT: Tb
1
SIMPLIG: Sc=C12H12N3O9 Ti=H2O| 
;
loop_
_publ_author_name
'Yan-Xue CHEN'
'Bing-Yi CHEN'
'Jin-Hui YANG'
'Guo-Qiang QIN'
_cell_length_a                      7.9418
_cell_length_b                      12.087
_cell_length_c                      13.358
_cell_angle_alpha                   112.101
_cell_angle_beta                    105.051
_cell_angle_gamma                   91.197
_cell_volume                        1137.172
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P -1'
_symmetry_Int_Tables_number         2
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,-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
Sc1 Sc 2 0.87255 0.32163 0.62630 1.0000
Tb1 Tb 2 0.24936 0.98099 0.01070 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
Sc1 Tb1 7.7920 1 0 0 0 1 1 -1 1 v 2
Sc1 Tb1 7.3120 1 0 0 0 2 1 1 1 v 2
Sc1 Tb1 8.2174 1 0 0 0 2 1 2 1 v 2
Sc1 Tb1 7.6729 1 0 0 0 2 1 1 0 v 2
Sc1 Tb1 7.6855 1 0 0 0 1 1 0 1 v 2
Sc1 Tb1 7.8487 1 0 0 0 1 0 -1 0 v 2
#End of data_0-TOPOS_VIVLAP_6/4/t7;sqc885