data_0-TOPOS_ZEHCAQ02_sqc1436
_database_code_CSD                  ZEHCAQ02
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc1436
_chemical_name_systematic
;
catena-[piperazine-1,4-diium bis((\m-phosphato)-(\m-hydrogenphosphato
)-aqua-di-zinc(ii)) monohydrate]. 
;
_chemical_formula_sum               'ZD0 ZE0'
_citation_journal_abbrev            'CSD Communication(Private Communication)'
_citation_year                      2017
_citation_special_details
;
File: Z.cif. 
CENTAT: Zn1 Zn2
SIMPLIG: ZA=H2O ZB=C4H12N2 ZC=H4O ZD=
O4P ZE=Zn
SIMPPAR: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Ayi A.A.'
'Rheingold A.L.'
_cell_length_a                      12.083
_cell_length_b                      14.893
_cell_length_c                      11.784
_cell_angle_alpha                   90
_cell_angle_beta                    98.16
_cell_angle_gamma                   90
_cell_volume                        2099.086
_cell_formula_units_Z               16
_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
ZE1 ZE 8 0.40399 0.73576 0.08798 1.0000
ZD2 ZD 8 0.32861 0.73750 0.34413 1.0000
ZE2 ZE 8 0.29531 0.61343 0.54504 1.0000
ZD1 ZD 8 0.24961 0.91211 0.03769 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
ZE1 ZD2 3.2744 1 0 0 0 1 0 0 0 v 8
ZE1 ZD2 3.2166 1 0 0 0 2 1 0 0 v 8
ZE1 ZD1 3.1156 1 0 0 0 7 0 1 0 v 8
ZE1 ZD1 3.2272 1 0 0 0 1 0 0 0 v 8
ZD2 ZE2 3.0744 1 0 0 0 1 0 0 0 v 8
ZD2 ZE2 3.0710 1 0 0 0 7 0 1 1 v 8
ZE2 ZD1 3.1756 1 0 0 0 6 0 -1 0 v 8
#End of data_0-TOPOS_ZEHCAQ02_sqc1436