data_0-TOPOS_UQUCUG_bcu;8/4/c1;sqc3
_database_code_CSD                  UQUCUG
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        bcu;8/4/c1;sqc3
_chemical_name_systematic
;
catena-[(5,10,15,20-tetrakis(4-sulfonatophenyl)porphyrin)-gadolinium 
oxonium]. 
;
_chemical_formula_sum               'ZA0 ZC0'
_citation_journal_abbrev            J.Iran.Chem.Soc.
_citation_year                      2015
_citation_journal_volume            12
_citation_page_first                277
_citation_special_details
;
Experiment details: We calculate some void space in the structure. Fi
le: U.cif. 
CENTAT: Gd1
SIMPLIG: ZA=C44H24N4O12S4 ZB=O ZC=Gd
SIMPP
AR: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Wen-Tong CHEN'
'Rong-Hua HU'
'Hua-Long CHEN'
'Xian ZHANG'
'Hong-Ru FU'
_cell_length_a                      15.3873
_cell_length_b                      15.3873
_cell_length_c                      9.8582
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        2334.116
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P 4/m c c'
_symmetry_Int_Tables_number         124
_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 x,-y,1/2-z
4 -x,y,1/2-z
5 -y,-x,1/2-z
6 y,x,1/2-z
7 y,-x,z
8 -y,x,z
9 -x,-y,-z
10 x,y,-z
11 -x,y,1/2+z
12 x,-y,1/2+z
13 y,x,1/2+z
14 -y,-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
ZC1 ZC 2 0.50000 0.50000 0.75000 1.0000
ZA1 ZA 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
ZC1 ZA1 11.1561 1 0 0 0 1 1 1 1 v 16
#End of data_0-TOPOS_UQUCUG_bcu;8/4/c1;sqc3