data_0-TOPOS_REYNUG01_deh;3/8/t7;sqc5603
_database_code_CSD                  REYNUG01
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        deh;3/8/t7;sqc5603
_chemical_name_systematic
;
catena-((\m~3~-N-(2-(Tetrazolato-5-yl)ethyl)glycinato)-zinc(ii)). 
;
_chemical_formula_sum               'ZB0 ZA0'
_citation_journal_abbrev            'New J.Chem.'
_citation_year                      2015
_citation_journal_volume            39
_citation_page_first                3982
_citation_special_details
;
File: R.cif. 
CENTAT: Zn1
SIMPLIG: ZA=C5H7N5O2 ZB=Zn
SIMPPAR: METH
=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Salinas-Castillo A.'
'Calahorro A.J.'
'Briones D.'
'Fairen-Jimenez D.'
'Gandara F.'
'Mendicute-Fierro C.'
'Seco J.M.'
'Perez-Mendoza M.'
'Fernandez B.'
'Rodriguez-Dieguez A.'
_cell_length_a                      21.71
_cell_length_b                      21.71
_cell_length_c                      6.8793
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        3242.38
_cell_formula_units_Z               16
_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
ZA1 ZA 16 0.15627 0.35018 0.23257 1.0000
ZB1 ZB 16 0.11915 0.36040 0.06177 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
ZA1 ZB1 1.4419 1 0 0 0 1 0 0 0 v 16
ZA1 ZB1 5.8120 1 0 0 0 8 0 0 0 v 16
ZA1 ZB1 5.1115 1 0 0 0 3 0 0 0 v 16
#End of data_0-TOPOS_REYNUG01_deh;3/8/t7;sqc5603