data_0-TOPOS_OBUMIK_msw;sqc26
_database_code_CSD                  OBUMIK
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        msw;sqc26
_chemical_name_systematic
;
catena-[(\m-(silanetetrayltetra(4,1-phenylene))tetrakis(hydrogen(phos
phonato)))-zirconium]. 
;
_chemical_formula_sum               'ZA0 ZB0'
_citation_journal_abbrev            CHEM.COMMUN.
_citation_year                      2017
_citation_journal_volume            53
_citation_page_first                1293
_citation_special_details
;
File: O.cif. 
CENTAT: Zr1
SIMPLIG: ZA=C24H20O12SiP4 ZB=Zr
SIMPPAR:
 METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Chao-Ying GAO'
'Jing AI'
'Hong-Rui TIAN'
'Dai WU'
'Zhong-Ming SUN'
_cell_length_a                      9.9688
_cell_length_b                      19.2157
_cell_length_c                      14.5392
_cell_angle_alpha                   90
_cell_angle_beta                    99.702
_cell_angle_gamma                   90
_cell_volume                        2745.259
_cell_formula_units_Z               4
_symmetry_space_group_name_H-M      'P 21/c'
_symmetry_Int_Tables_number         14
_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,1/2-z
3 -x,-y,-z
4 x,1/2-y,1/2+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 4 0.74982 0.54975 0.49874 1.0000
ZA1 ZA 4 0.25307 0.88267 0.49780 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 ZA1 8.1914 1 0 0 0 4 0 1 -1 v 4
ZB1 ZA1 7.8966 1 0 0 0 2 1 -1 0 v 4
ZB1 ZA1 8.0886 1 0 0 0 1 0 0 0 v 4
ZB1 ZA1 8.1313 1 0 0 0 1 1 0 0 v 4
ZB1 ZA1 8.1996 1 0 0 0 4 1 1 0 v 4
ZB1 ZA1 7.9975 1 0 0 0 2 1 -1 1 v 4
#End of data_0-TOPOS_OBUMIK_msw;sqc26