data_0-TOPOS_ONODOM_tty;sqc494
_database_code_CSD                  ONODOM
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        tty;sqc494
_chemical_name_systematic
;
catena-[bis(\m-aqua)-bis(\m-1,1':4',1'':4'',1'''-quaterphenyl-2,2''',
4,4'''-tetracarboxylato)-aqua-tri-nickel dimethylamine solvate hydrat
e]. 
;
_chemical_formula_sum               'ZB0 ZA0'
_citation_journal_abbrev            CRYSTENGCOMM
_citation_year                      2016
_citation_journal_volume            18
_citation_page_first                5386
_citation_special_details
;
Experiment details: Disordered solvent molecules were not modelled an
d the disordered density wastaken into account using the SQUEEZE/PLAT
ON procedure.. File: O.cif. 
CENTAT: none
SIMPLIG: ZA=C4H6O12Ni3 ZB
=C6H3 ZC=C6H4 ZD=C10H8 ZE=CO ZF=O
SIMPPAR: METH=Stand; INTRA=V; INTE
R=H| 
;
loop_
_publ_author_name
'Tuo-Ping HU'
'Zhi-Jia XUE'
'Bao-Hua ZHENG'
'Xiao-Qing WANG'
'Xue-Na HAO'
'You SONG'
_cell_length_a                      12.8328
_cell_length_b                      16.1439
_cell_length_c                      16.2738
_cell_angle_alpha                   84.645
_cell_angle_beta                    79.837
_cell_angle_gamma                   69.372
_cell_volume                        3104.028
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P -1'
_symmetry_Int_Tables_number         2
_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
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
ZB4 ZB 2 0.76457 0.47502 0.44751 1.0000
ZB1 ZB 2 0.72691 0.98537 0.33026 1.0000
ZA1 ZA 2 0.52683 0.73931 0.21800 1.0000
ZB2 ZB 2 0.31381 0.50858 0.20462 1.0000
ZB3 ZB 2 0.20671 0.03831 0.06540 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
ZB4 ZB3 12.9191 1 0 0 0 1 1 1 0 v 2
ZB4 ZA1 7.3488 1 0 0 0 2 1 1 1 v 2
ZB4 ZA1 5.7739 1 0 0 0 1 0 0 0 v 2
ZB1 ZA1 8.4769 1 0 0 0 2 1 2 1 v 2
ZB1 ZA1 5.9922 1 0 0 0 1 0 0 0 v 2
ZB1 ZB2 12.9776 1 0 0 0 1 1 1 0 v 2
ZA1 ZB2 7.8680 1 0 0 0 2 1 1 0 v 2
ZA1 ZB3 5.8081 1 0 0 0 1 0 1 0 v 2
ZA1 ZB2 5.3787 1 0 0 0 1 0 0 0 v 2
ZA1 ZB3 6.7710 1 0 0 0 2 1 1 0 v 2
#End of data_0-TOPOS_ONODOM_tty;sqc494