data_0-TOPOS_MEJPUP_tcs
_database_code_CSD                  MEJPUP
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        tcs
_chemical_name_systematic
;
catena-[bis(\m-5-hydroxyisophthalato)-(\m-oxalato)-tetraaqua-di-samar
iumdihydrate]. 
;
_chemical_formula_sum               'ZD0 ZB0'
_citation_journal_abbrev            INORG.CHIM.ACTA
_citation_year                      2018
_citation_journal_volume            469
_citation_page_first                51
_citation_special_details
;
File: M.cif. 
CENTAT: Sm1
SIMPLIG: ZA=H2O ZB=C8H4O5 ZC=C2O4 ZD=Sm

SIMPPAR: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Zan SUN'
'Hongdao LI'
'Guifang SUN'
'Jianni GUO'
'Yue MA'
'Licun LI'
_cell_length_a                      7.6065
_cell_length_b                      8.6539
_cell_length_c                      10.211
_cell_angle_alpha                   68.119
_cell_angle_beta                    72.281
_cell_angle_gamma                   75.206
_cell_volume                        586.4297
_cell_formula_units_Z               2
_symmetry_space_group_name_H-M      'P -1'
_symmetry_Int_Tables_number         2
_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
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
ZB1 ZB 2 0.73545 0.07809 0.98244 1.0000
ZD1 ZD 2 0.25765 0.27286 0.46287 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
ZB1 ZD1 5.5400 1 0 0 0 1 1 0 0 v 2
ZB1 ZD1 5.3465 1 0 0 0 2 1 0 2 v 2
ZB1 ZD1 5.7616 1 0 0 0 2 1 1 1 v 2
ZB1 ZD1 5.6831 1 0 0 0 1 0 0 1 v 2
ZD1 ZD1 6.3991 1 0 0 0 2 1 1 1 v 1
#End of data_0-TOPOS_MEJPUP_tcs