data_0-TOPOS_CIXWAJ_osf;7/3/o3
_database_code_CSD                  CIXWAJ
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        osf;7/3/o3
_chemical_name_systematic
;
2-(4-Bromophenyl)-2-oxoethyl 2,4-dichlorobenzoate. 
;
_chemical_formula_sum               ZA0
_citation_journal_abbrev            Z.KRISTALLOGR.
_citation_year                      2014
_citation_journal_volume            229
_citation_page_first                328
_citation_special_details
;
File: search24.cif. 
CENTAT: Sc1
SIMPLIG: ZA=Sc
SIMPPAR: METH=Stan
d; INTRA=V| 
;
loop_
_publ_author_name
'Kumar C.S.C.'
'Tze SHYANG CHIA'
'Chandraju S.'
'Chin WEI OOI'
'Ching KHENG QUAH'
'Hoong-Kun FUN'
_cell_length_a                      28.309
_cell_length_b                      12.1322
_cell_length_c                      8.7983
_cell_angle_alpha                   90
_cell_angle_beta                    97.712
_cell_angle_gamma                   90
_cell_volume                        2994.448
_cell_formula_units_Z               8
_symmetry_space_group_name_H-M      'C 2/c'
_symmetry_Int_Tables_number         15
_refine_ls_R_factor_all             0
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,y,1/2-z
3 -x,-y,-z
4 x,-y,1/2+z
5 1/2+x,1/2+y,z
6 1/2-x,1/2+y,1/2-z
7 1/2-x,1/2-y,-z
8 1/2+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
ZA1 ZA 8 0.20098 0.83644 0.60494 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
ZA1 ZA1 4.1095 1 0 0 0 7 0 1 1 v 4
ZA1 ZA1 7.0083 1 0 0 0 6 0 -1 1 v 8
ZA1 ZA1 7.4331 1 0 0 0 7 0 1 2 v 4
ZA1 ZA1 12.2234 1 0 0 0 2 0 0 0 v 4
ZA1 ZA1 5.9248 1 0 0 0 4 0 2 0 v 8
#End of data_0-TOPOS_CIXWAJ_osf;7/3/o3