data_0-TOPOS_XEXLOD_5/4/t5;sqc518
_database_code_CSD                  XEXLOD
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        5/4/t5;sqc518
_chemical_name_systematic
;
catena-((\m~5~-1,3-Dioxo-2-(pyridin-4-yl)-2,3-dihydro-1H-benzo[de]iso
quinoline-6,7-dicarboxylato)-zinc triethylene glycol solvate). 
;
_chemical_formula_sum               'Sc0 Zn0'
_citation_journal_abbrev            INORG.CHEM.
_citation_year                      2013
_citation_journal_volume            52
_citation_page_first                2951
_citation_special_details
;
File: search24.cif. 
CENTAT: Zn1
SIMPLIG: Sc=C19H8N2O6 Ti=C6H13O4| 
;
loop_
_publ_author_name
'Medishetty R.'
'Daram JUNG'
'Xiaokai SONG'
'Dongwook KIM'
'Shim SUNG LEE'
'Myoung SOO LAH'
'Vittal J.J.'
_cell_length_a                      5.5797
_cell_length_b                      25.9231
_cell_length_c                      16.7931
_cell_angle_alpha                   90
_cell_angle_beta                    98.575
_cell_angle_gamma                   90
_cell_volume                        2401.854
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
_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,1/2-z
3 -x,-y,-z
4 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
Zn1 Zn 4 0.88077 0.47913 0.42038 1.0000
Sc1 Sc 4 0.39536 0.71310 0.34925 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 Sc1 6.6295 1 0 0 0 3 1 1 1 v 4
Zn1 Sc1 6.6771 1 0 0 0 1 0 0 0 v 4
Zn1 Sc1 8.2677 1 0 0 0 2 1 -1 0 v 4
Zn1 Sc1 7.1730 1 0 0 0 3 2 1 1 v 4
Zn1 Sc1 6.8906 1 0 0 0 1 1 0 0 v 4
#End of data_0-TOPOS_XEXLOD_5/4/t5;sqc518