data_0-TOPOS_GITPIK_pts-f;sqc2195
_database_code_CSD                  GITPIK
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        pts-f;sqc2195
_chemical_name_systematic
;
catena-(bis(\m~5~-2,4-bis(4-Carboxylatophenylamino)-6-(bis(carboxylat
omethyl)amino)-1,3,5-triazine)-bis(\m~2~-aqua)-tetra-aqua-tetra-zinct
etrakis(N-methyl-2-pyrrolidone) hexahydrate). 
;
_chemical_formula_sum               'Co0 Mn0 V0'
_citation_journal_abbrev            CRYSTENGCOMM
_citation_year                      2014
_citation_journal_volume            16
_citation_page_first                2188
_citation_special_details
;
File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=HN Ti=C6H4 V=C4H4NO4Z
n Cr=C5H9NO Mn=C3N3 Fe=CO Co=C2O8Zn2| 
;
loop_
_publ_author_name
'Jie LI'
'Tianlu SHENG'
'Songyan BAI'
'Shengmin HU'
'Yuehong WEN'
'Ruibiao FU'
'Yihui HUANG'
'Zhenzhen XUE'
'Xintao WU'
_cell_length_a                      29.542
_cell_length_b                      7.3171
_cell_length_c                      35.757
_cell_angle_alpha                   90
_cell_angle_beta                    98.761
_cell_angle_gamma                   90
_cell_volume                        7639.113
_cell_formula_units_Z               4
_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
V1 V 8 0.29652 0.38587 0.18632 1.0000
Mn1 Mn 8 0.24113 0.32014 0.08240 1.0000
Co1 Co 4 0.00000 0.08721 0.25000 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
V1 Mn1 3.8554 1 0 0 0 1 0 0 0 v 8
V1 Mn1 11.1382 1 0 0 0 7 0 1 0 v 8
V1 Co1 6.2705 1 0 0 0 5 0 0 0 v 8
Mn1 Co1 10.1275 1 0 0 0 1 0 0 0 v 8
#End of data_0-TOPOS_GITPIK_pts-f;sqc2195