data_0-TOPOS_RETCAW_ssb;sqc2202
_database_code_CSD                  RETCAW
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        ssb;sqc2202
_chemical_name_systematic
;
catena-(tetrakis(\m~6~-Oxo)-tetrakis(\m~5~-oxo)-tetrakis(\m~4~-oxo)-d
odecakis(\m~3~-oxo)-bis(\m~2~-hydroxo)-octatriacontakis(\m~2~-oxo)-he
xadeca-aqua-dodecaoxo-tetra-lanthanum-di-manganese-hexacosa-vanadiumh
exadecakis(N-methylpyrrolidin-2-one) octadecahydrate). 
;
_chemical_formula_sum               Sc0
_citation_journal_abbrev            CHEM.COMMUN.
_citation_year                      2013
_citation_journal_volume            49
_citation_page_first                3673
_citation_special_details
;
Experiment details: The SQUEEZE/PLATON program was used to model the 
disordered solvent and watermolecules.. File: search24.cif. 
CENTAT:
 none
SIMPLIG: Sc=O44V13MnLa2| 
;
loop_
_publ_author_name
'Ding LIU'
'Ying LU'
'Hua-Qiao TAN'
'Wei-Lin CHEN'
'Zhi-Ming ZHANG'
'Yang-Guang LI'
'En-Bo WANG'
_cell_length_a                      39.9678
_cell_length_b                      39.9678
_cell_length_c                      26.249
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        41930.81
_cell_formula_units_Z               16
_symmetry_space_group_name_H-M      'I -4 m 2'
_symmetry_Int_Tables_number         119
_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 -y,-x,-z
4 y,x,-z
5 -x,y,z
6 x,-y,z
7 -y,x,-z
8 y,-x,-z
9 1/2+x,1/2+y,1/2+z
10 1/2-x,1/2-y,1/2+z
11 1/2-y,1/2-x,1/2-z
12 1/2+y,1/2+x,1/2-z
13 1/2-x,1/2+y,1/2+z
14 1/2+x,1/2-y,1/2+z
15 1/2-y,1/2+x,1/2-z
16 1/2+y,1/2-x,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
Sc2 Sc 8 0.23460 0.26540 0.75000 1.0000
Sc1 Sc 8 0.00000 0.23664 0.03134 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 Sc2 12.0609 1 0 0 0 7 0 0 1 v 16
Sc1 Sc2 11.9907 1 0 0 0 5 0 0 -1 v 16
#End of data_0-TOPOS_RETCAW_ssb;sqc2202