data_0-TOPOS_SERCEZ_sqc8099
_database_code_CSD                  SERCEZ
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        sqc8099
_chemical_name_systematic
;
catena-[bis(\m~4~-2-Hydroxybiphenyl-4,4'-dicarboxylato)-(\m~4~-biphen
yl-4,4'-dicarboxylato)-(\m~4~-oxo)-tetra-zinc(ii)]. 
;
_chemical_formula_sum               'Ti0 Zn0 O0 Sc0'
_citation_journal_abbrev            INORG.CHEM.
_citation_year                      2013
_citation_journal_volume            52
_citation_page_first                855
_citation_special_details
;
File: search24.cif. 
CENTAT: Zn1 Zn2 Zn3
SIMPLIG: Sc=C14H8O5 Ti=C14
H8O4| 
;
loop_
_publ_author_name
'Spanopoulos I.'
'Xydias P.'
'Malliakas C.D.'
'Trikalitis P.N.'
_cell_length_a                      17.1238
_cell_length_b                      20.115
_cell_length_c                      27.1291
_cell_angle_alpha                   90
_cell_angle_beta                    90
_cell_angle_gamma                   90
_cell_volume                        9344.49
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P n m a'
_symmetry_Int_Tables_number         62
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2-x,-y,1/2+z
3 1/2+x,1/2-y,1/2-z
4 -x,1/2+y,-z
5 -x,-y,-z
6 1/2+x,y,1/2-z
7 1/2-x,1/2+y,1/2+z
8 x,1/2-y,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 0.75990 0.99884 0.65500 1.0000
Zn1 Zn 8 0.73995 0.17138 0.40957 1.0000
O1 O 4 0.67660 0.25000 0.40946 1.0000
Zn2 Zn 4 0.61372 0.25000 0.35088 1.0000
Zn3 Zn 4 0.60545 0.25000 0.46735 1.0000
Ti1 Ti 4 0.17736 0.25000 0.40083 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 Zn1 7.7084 1 0 0 0 2 1 1 0 v 8
Sc1 Zn3 7.6443 1 0 0 0 1 0 1 0 v 8
Sc1 Zn1 7.5163 1 0 0 0 1 0 1 0 v 8
Sc1 Zn2 7.6142 1 0 0 0 2 1 1 0 v 8
Zn1 O1 1.9177 1 0 0 0 1 0 0 0 v 8
O1 Zn2 1.9196 1 0 0 0 1 0 0 0 v 4
O1 Zn3 1.9877 1 0 0 0 1 0 0 0 v 4
Zn2 Ti1 7.5940 1 0 0 0 1 0 0 0 v 4
Zn3 Ti1 7.5494 1 0 0 0 1 0 0 0 v 4
Ti1 Zn1 7.6589 1 0 0 0 8 -1 0 0 v 8
#End of data_0-TOPOS_SERCEZ_sqc8099