data_0-TOPOS_TENLIJ_xux;sqc188
_database_code_CSD                  TENLIJ
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        xux;sqc188
_chemical_name_systematic
;
catena-((\m~4~-tetrakis((pyridin-4-yloxy)methyl)methane)-tetrakis(\m~
2~-pyridine-2,6-dicarboxylato)-tetra-zinc(ii) pentahydrate). 
;
_chemical_formula_sum               'Ti0 Zn0'
_citation_journal_abbrev            J.MOL.STRUCT.
_citation_year                      2013
_citation_journal_volume            1034
_citation_page_first                193
_citation_special_details
;
File: search24.cif. 
CENTAT: Zn1
SIMPLIG: Sc=C7H3NO4 Ti=C25H24N4O4 
V=H2O| 
;
loop_
_publ_author_name
'Shi-Bin REN'
'Fei-Jian CHEN'
'Cheng-Lin WU'
'An-Guo YING'
'Yong-Qian FU'
'Wen-Ping JIA'
_cell_length_a                      18.3697
_cell_length_b                      18.3697
_cell_length_c                      23.507
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        7932.34
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'I 41/a'
_symmetry_Int_Tables_number         88
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2-y,z
3 3/4-y,1/4+x,1/4+z
4 1/4+y,1/4-x,1/4+z
5 -x,-y,-z
6 x,1/2+y,-z
7 3/4+y,1/4-x,1/4-z
8 1/4-y,1/4+x,1/4-z
9 1/2+x,1/2+y,1/2+z
10 1/2-x,-y,1/2+z
11 1/4-y,3/4+x,3/4+z
12 3/4+y,3/4-x,3/4+z
13 1/2-x,1/2-y,1/2-z
14 1/2+x,y,1/2-z
15 1/4+y,3/4-x,3/4-z
16 3/4-y,3/4+x,3/4-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
Zn1 Zn 16 0.33361 0.65507 0.10599 1.0000
Ti1 Ti 4 0.00000 0.75000 0.87500 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
Zn1 Zn1 5.0562 1 0 0 0 7 -1 1 0 v 16
Zn1 Ti1 8.3714 1 0 0 0 1 0 0 -1 v 16
#End of data_0-TOPOS_TENLIJ_xux;sqc188