data_0-TOPOS_EYUKUF_sqc1415
_database_code_CSD                  EYUKUF
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc1415
_chemical_name_systematic
;
catena-((\m~8~-tetrakis((3,5-Dicarboxylatophenoxy)methyl)methane)-tet
rakis(\m~2~-4,4'-azopyridine)-tetra-cadmium(ii) dimethylformamide sol
vate. 
;
_chemical_formula_sum               'Ti0 Cr0 Sc0'
_citation_journal_abbrev            CRYSTENGCOMM
_citation_year                      2011
_citation_journal_volume            13
_citation_page_first                3321
_citation_special_details
;
Experiment details: The central portion of the ligand is disordered b
y symmetry. TheSQUEEZE/PLATON program was used to model the disordere
d solvent molecules.. File: search24.cif. 
CENTAT: none
SIMPLIG: Sc
=C6H3 Ti=C9H16O4 V=C5H4N Cr=C4O8Cd2| 
;
loop_
_publ_author_name
'Zu-Jin LIN'
'Tian-Fu LIU'
'Bo XU'
'Li-Wei HAN'
'Yuan-Biao HUANG'
'Rong CAO'
_cell_length_a                      17.322
_cell_length_b                      17.322
_cell_length_c                      27.263
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        8180.31
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 4/m n c'
_symmetry_Int_Tables_number         128
_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 1/2+x,1/2-y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 1/2-y,1/2-x,1/2-z
6 1/2+y,1/2+x,1/2-z
7 y,-x,z
8 -y,x,z
9 -x,-y,-z
10 x,y,-z
11 1/2-x,1/2+y,1/2+z
12 1/2+x,1/2-y,1/2+z
13 1/2+y,1/2+x,1/2+z
14 1/2-y,1/2-x,1/2+z
15 -y,x,-z
16 y,-x,-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
Sc1 Sc 8 0.14695 0.76210 0.00000 1.0000
Cr1 Cr 4 0.00000 0.50000 0.00000 1.0000
Ti1 Ti 2 0.00000 0.00000 0.00000 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
Sc1 Ti1 4.8437 1 0 0 0 1 0 1 0 v 8
Sc1 Cr1 5.2051 1 0 0 0 1 0 0 0 v 8
Cr1 Sc1 7.3743 1 0 0 0 7 -1 1 0 v 8
Cr1 Cr1 13.6315 1 0 0 0 5 0 0 0 v 4
#End of data_0-TOPOS_EYUKUF_sqc1415