data_0-TOPOS_MISKUV_3,3,3,3,3,3,5,6,6,6T1
_database_code_CSD                  MISKUV
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        3,3,3,3,3,3,5,6,6,6T1
_chemical_name_systematic
;
catena-[bis(\m~3~-Acetato)-bis(\m~3~-hydroxy)-octakis(\m~3~-1,2,4-tri
azolato)-bis(\m~2~-acetato)-hepta-manganese(ii)]. 
;
_chemical_formula_sum               'Mn0 Sc0 Ti0 V0'
_citation_journal_abbrev            'ACTA CRYSTALLOGR.,SECT.C:CRYST.STRUCT.COMMUN.'
_citation_year                      2008
_citation_journal_volume            64
_citation_page_first                m64
_citation_special_details
;
File: search24.cif. 
CENTAT: Mn1 Mn2 Mn3 Mn4
SIMPLIG: Sc=C2H2N3 Ti=
C2H3O2 V=HO| 
;
loop_
_publ_author_name
'Zhe-Hui WENG'
'Zi-Lu CHEN'
'Fu-Pei LIANG'
_cell_length_a                      14.677
_cell_length_b                      9.2626
_cell_length_c                      16.99
_cell_angle_alpha                   90
_cell_angle_beta                    109.717
_cell_angle_gamma                   90
_cell_volume                        2174.323
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 21/n'
_symmetry_Int_Tables_number         14
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,1/2+y,1/2-z
3 -x,-y,-z
4 1/2+x,1/2-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
Sc1 Sc 4 0.89267 0.88964 0.10910 1.0000
Sc4 Sc 4 0.89014 0.41130 0.95562 1.0000
V1 V 4 0.87354 0.48548 0.16508 1.0000
Mn1 Mn 4 0.75874 0.58288 0.05458 1.0000
Ti1 Ti 4 0.65505 0.25671 0.02822 1.0000
Sc2 Sc 4 0.62804 0.65608 0.17888 1.0000
Mn4 Mn 4 0.61176 0.75403 0.36739 1.0000
Sc3 Sc 4 0.58287 0.72749 0.88300 1.0000
Mn2 Mn 4 0.51098 0.91195 0.69767 1.0000
Mn3 Mn 2 0.50000 0.50000 0.00000 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 Mn2 3.3645 1 0 0 0 4 0 1 -1 v 4
Sc1 Mn4 3.4020 1 0 0 0 2 1 0 0 v 4
Sc1 Mn1 3.4010 1 0 0 0 1 0 0 0 v 4
Sc4 Mn2 3.3822 1 0 0 0 2 1 -1 1 v 4
Sc4 Mn1 3.3556 1 0 0 0 1 0 0 1 v 4
Sc4 Mn4 3.3499 1 0 0 0 2 1 -1 1 v 4
V1 Mn2 2.1271 1 0 0 0 4 0 1 -1 v 4
V1 Mn1 2.2457 1 0 0 0 1 0 0 0 v 4
V1 Mn4 2.2421 1 0 0 0 2 1 -1 0 v 4
Mn1 Sc2 3.3664 1 0 0 0 1 0 0 0 v 4
Mn1 Ti1 3.3443 1 0 0 0 1 0 0 0 v 4
Mn1 Sc3 3.4464 1 0 0 0 1 0 0 -1 v 4
Ti1 Mn4 3.2809 1 0 0 0 2 1 -1 0 v 4
Ti1 Mn3 3.1226 1 0 0 0 1 0 0 0 v 4
Sc2 Mn4 3.4139 1 0 0 0 1 0 0 0 v 4
Sc2 Mn3 3.3173 1 0 0 0 1 0 0 0 v 4
Mn4 Mn2 3.5631 1 0 0 0 3 1 2 1 v 4
Sc3 Mn3 3.3915 1 0 0 0 1 0 0 1 v 4
Sc3 Mn2 3.4214 1 0 0 0 1 0 0 0 v 4
#End of data_0-TOPOS_MISKUV_3,3,3,3,3,3,5,6,6,6T1