data_0-TOPOS_TALLAW_gis;4/4/t3;sqc2200;GIS
_database_code_CSD                  TALLAW
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        gis;4/4/t3;sqc2200;GIS
_chemical_name_systematic
;
catena-[bis(\m~4~-5-(4-Carboxylatophenoxy)nicotinato)-(\m~2~-aqua)-bi
s(N,N-dimethylformamide)-di-manganese(ii) unknown solvate]. 
;
_chemical_formula_sum               'ZA0 ZD0'
_citation_journal_abbrev            Z.ANORG.ALLG.CHEM.
_citation_year                      2016
_citation_journal_volume            642
_citation_page_first                246
_citation_special_details
;
Experiment details: C14,C15,C16,N1,O7 and C14',C15',C16',N1',O7' diso
rdered over two sites withoccupancies 0.572:0.428; H6A,H6B disordered
 by symmetry over twoconfigurations with occupancy 0.50; The SQUEEZE/
PLATON program has been usedto model some disorder.. File: T.cif. 
C
ENTAT: Mn1
SIMPLIG: ZA=C13H7NO5 ZB=C6H14N2O2 ZC=H4O ZD=Mn
SIMPPAR: 
METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Yong-Liang LIU'
'Feng-Ying CHEN'
'Yan-Qing DI'
'Jie CAO'
'You-Ying DI'
'Chun-Sheng ZHOU'
_cell_length_a                      27.949
_cell_length_b                      14.242
_cell_length_c                      13.049
_cell_angle_alpha                   90
_cell_angle_beta                    115.031
_cell_angle_gamma                   90
_cell_volume                        4706.31
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'C 2/c'
_symmetry_Int_Tables_number         15
_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
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 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
ZD1 ZD 8 0.95428 0.19663 0.81915 1.0000
ZA1 ZA 8 0.71464 0.48504 0.57105 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
ZD1 ZA1 5.8794 1 0 0 0 7 1 0 1 v 8
ZD1 ZA1 7.3393 1 0 0 0 1 0 0 0 v 8
ZD1 ZA1 7.0857 1 0 0 0 8 0 0 0 v 8
ZD1 ZA1 6.2568 1 0 0 0 6 1 -1 1 v 8
#End of data_0-TOPOS_TALLAW_gis;4/4/t3;sqc2200;GIS