data_0-TOPOS_DODBUV_sqc;sqc1973
_database_code_CSD                  DODBUV
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc;sqc1973
_chemical_name_systematic
;
catena-[(\m~8~-4,4',4'',4'''-porphyrin-5,10,15,20-tetrayltetrabenzoat
o)-bis(\m~3~-hydroxy)-bis(\m~3~-oxido)-diaqua-bis(hydroxy)-tri-zircon
ium unknownsolvate]. 
;
_chemical_formula_sum               'Sc0 V0'
_citation_journal_abbrev            J.AM.CHEM.SOC.
_citation_year                      2013
_citation_journal_volume            135
_citation_page_first                13934
_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: none
SIMPLIG: Sc=C20H12
N4 Ti=C6H4 V=C8O32Zr6| 
;
loop_
_publ_author_name
'Hai-Long JIANG'
'Dawei FENG'
'Kecheng WANG'
'Zhi-Yuan GU'
'Zhangwen WEI'
'Ying-Pin CHEN'
'Hong-Cai ZHOU'
_cell_length_a                      16.581
_cell_length_b                      16.581
_cell_length_c                      78.3
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        21526.98
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'I 41/a m d'
_symmetry_Int_Tables_number         141
_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,z
3 x,-y,-z
4 -x,1/2+y,-z
5 1/4-y,1/4-x,3/4-z
6 1/4+y,3/4+x,1/4-z
7 1/4+y,1/4-x,3/4+z
8 1/4-y,3/4+x,1/4+z
9 -x,-y,-z
10 x,1/2+y,-z
11 -x,y,z
12 x,1/2-y,z
13 1/4+y,1/4+x,3/4+z
14 1/4-y,3/4-x,1/4+z
15 1/4-y,1/4+x,3/4-z
16 1/4+y,3/4-x,1/4-z
17 1/2+x,1/2+y,1/2+z
18 1/2-x,-y,1/2+z
19 1/2+x,1/2-y,1/2-z
20 1/2-x,y,1/2-z
21 3/4-y,3/4-x,1/4-z
22 3/4+y,1/4+x,3/4-z
23 3/4+y,3/4-x,1/4+z
24 3/4-y,1/4+x,3/4+z
25 1/2-x,1/2-y,1/2-z
26 1/2+x,y,1/2-z
27 1/2-x,1/2+y,1/2+z
28 1/2+x,-y,1/2+z
29 3/4+y,3/4+x,1/4+z
30 3/4-y,1/4-x,3/4+z
31 3/4-y,3/4+x,1/4-z
32 3/4+y,1/4-x,3/4-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
V1 V 4 0.50000 0.25000 0.12500 1.0000
Sc1 Sc 8 0.00000 0.50000 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
V1 Sc1 13.4800 1 0 0 0 1 0 0 0 v 32
#End of data_0-TOPOS_DODBUV_sqc;sqc1973