data_0-TOPOS_VITZOP_sqc1806
_database_code_CSD                  VITZOP
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc1806
_chemical_name_systematic
;
catena-(dimethylammonium(\m~6~-biphenyl-3,3',5,5'-tetracarboxylato)-t
ris(\m~2~-formato)-diaqua-di-erbium). 
;
_chemical_formula_sum               'Sc0 Ti0'
_citation_journal_abbrev            CRYSTENGCOMM
_citation_year                      2014
_citation_journal_volume            16
_citation_page_first                2440
_citation_special_details
;
File: search24.cif. 
CENTAT: none
SIMPLIG: Sc=C6H3 Ti=C4O10Er2| 
;
loop_
_publ_author_name
'Liying ZHANG'
'Tianyou SONG'
'Jianing XU'
'Jiayin SUN'
'Shuangli ZENG'
'Yuncong WU'
'Yong FAN'
'Li WANG'
_cell_length_a                      19.318
_cell_length_b                      14.082
_cell_length_c                      8.8793
_cell_angle_alpha                   90
_cell_angle_beta                    100.31
_cell_angle_gamma                   90
_cell_volume                        2376.489
_cell_formula_units_Z               4
_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
Ti1 Ti 4 0.25000 0.25000 0.50000 1.0000
Sc1 Sc 8 0.09114 0.49254 0.93059 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
Ti1 Ti1 9.8822 1 0 0 0 2 0 0 0 v 4
Ti1 Ti1 8.3238 1 0 0 0 4 0 0 0 v 8
Ti1 Sc1 4.7186 1 0 0 0 4 0 1 -1 v 8
Ti1 Sc1 6.4103 1 0 0 0 1 0 0 -1 v 8
Sc1 Sc1 4.3177 1 0 0 0 2 0 0 1 v 4
#End of data_0-TOPOS_VITZOP_sqc1806