data_0-TOPOS_MIJBAK_xah;sqc320
_database_code_CSD                  MIJBAK
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        xah;sqc320
_chemical_name_systematic
;
catena-[bis(\m~4~-Glutarato)-(\m~2~-4,4'-propane-1,3-diyldipyridine)-
di-copperunknown solvate]. 
;
_chemical_formula_sum               'Ti0 Cu0'
_citation_journal_abbrev            CHEM.COMMUN.
_citation_year                      2013
_citation_journal_volume            49
_citation_page_first                11329
_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: search24.cif. 
CENTAT: Cu1
SIMPLIG: Sc=C13H14N
2 Ti=C5H6O4| 
;
loop_
_publ_author_name
'Seco J.M.'
'Fairen-Jimenez D.'
'Calahorro A.J.'
'Mendez-Linan L.'
'Perez-Mendoza M.'
'Casati N.'
'Colacio E.'
'Rodriguez-Dieguez A.'
_cell_length_a                      28.265
_cell_length_b                      13.127
_cell_length_c                      8.729
_cell_angle_alpha                   90
_cell_angle_beta                    106.779
_cell_angle_gamma                   90
_cell_volume                        3100.872
_cell_formula_units_Z               8
_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
Cu1 Cu 8 0.29007 0.20364 0.08704 1.0000
Ti1 Ti 8 0.20840 0.91733 0.82237 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
Cu1 Ti1 4.5532 1 0 0 0 6 0 -1 0 v 8
Cu1 Ti1 4.6597 1 0 0 0 1 0 -1 -1 v 8
Cu1 Ti1 5.0362 1 0 0 0 7 0 1 1 v 8
Cu1 Cu1 13.9817 1 0 0 0 2 1 0 1 v 4
Cu1 Ti1 3.8481 1 0 0 0 4 0 1 -1 v 8
#End of data_0-TOPOS_MIJBAK_xah;sqc320