data_0-TOPOS_RUJBUU_sqc296
_database_code_CSD                  RUJBUU
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc296
_chemical_name_systematic
;
catena-(tetrakis((\m~6~-Oxalato)-(\m~3~-imidazole-4,5-dicarboxylato))
-tris(\m~2~-aqua)-deca-aqua-penta-potassium-penta-terbium(iii) heptah
ydrate). 
;
_chemical_formula_sum               'Tb0 Sc0'
_citation_journal_abbrev            INORG.CHEM.
_citation_year                      2009
_citation_journal_volume            48
_citation_page_first                6997
_citation_special_details
;
Experiment details: luminescentisomorphous with the gadolinium and dy
sprosium analogues. Experiment details: An imidazole moiety, a potass
ium atom and a number of water molecules aredisordered with occupanci
es of 0.536:0.464 and 0.65:0.35.. File: search24.cif. 
CENTAT: K1 K2
 Tb1 Tb2
SIMPLIG: Sc=C40H8N16O32 Ti=C2O4 V=O3 Cr=O2| 
;
loop_
_publ_author_name
'Wen-Guan LU'
'Long JIANG'
'Xiao-Long FENG'
'Tong-Bu LU'
_cell_length_a                      18.2052
_cell_length_b                      18.2052
_cell_length_c                      10.0224
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        3321.717
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P -4 21 c'
_symmetry_Int_Tables_number         114
_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
3 1/2+x,1/2-y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 1/2+y,1/2+x,1/2+z
6 1/2-y,1/2-x,1/2+z
7 -y,x,-z
8 y,-x,-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 0.50000 0.50000 0.00000 1.0000
Tb1 Tb 8 0.32718 0.68618 0.03331 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 Sc1 10.0224 1 0 0 0 1 0 0 -1 v 2
Sc1 Tb1 4.6367 1 0 0 0 1 0 0 0 v 8
Tb1 Tb1 6.1879 1 0 0 0 5 -1 0 0 v 8
#End of data_0-TOPOS_RUJBUU_sqc296