data_0-TOPOS_MAPFER_sod;4/4/c1;sqc970;SOD
_database_code_CSD                  MAPFER
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sod;4/4/c1;sqc970;SOD
_chemical_name_systematic
;
catena-[hexakis(\m-hydrogen2,5-bis[(1-phenylethyl)amino]bicyclo[2.2.2
]octane-1,4-dicarboxylato)-tri-zincunknown solvate]. 
;
_chemical_formula_sum               ZB0
_citation_journal_abbrev            CRYSTENGCOMM
_citation_year                      2017
_citation_journal_volume            19
_citation_page_first                2494
_citation_special_details
;
Experiment details: Absolute configurationMoisture-sensitiveWe have a
dded a hydrogen atom to each ligand to balance the charge. Experiment
 details: The SQUEEZE/PLATON program has been used to model some diso
rder.. File: M.cif. 
CENTAT: Zn1 Zn2
SIMPLIG: ZA=C26H30N2O4 ZB=Zn

SIMPPAR: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Kutzscher C.'
'Janssen-Muller D.'
'Notzon A.'
'Stoeck U.'
'Bon V.'
'Senkovska I.'
'Kaskel S.'
'Glorius F.'
_cell_length_a                      32.49
_cell_length_b                      32.49
_cell_length_c                      25.78
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        27213.37
_cell_formula_units_Z               12
_symmetry_space_group_name_H-M      'I 4'
_symmetry_Int_Tables_number         79
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,-y,z
3 -y,x,z
4 y,-x,z
5 1/2+x,1/2+y,1/2+z
6 1/2-x,1/2-y,1/2+z
7 1/2-y,1/2+x,1/2+z
8 1/2+y,1/2-x,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
ZB1 ZB 8 0.26466 0.49999 0.38379 1.0000
ZB2 ZB 4 0.00000 0.50000 0.13392 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
ZB1 ZB2 10.7440 1 0 0 0 1 0 0 0 v 8
ZB1 ZB1 10.8134 1 0 0 0 3 1 0 0 v 8
ZB2 ZB1 10.7480 1 0 0 0 7 0 0 -1 v 8
#End of data_0-TOPOS_MAPFER_sod;4/4/c1;sqc970;SOD