data_0-TOPOS_XAWYAY_pts;sqc183
_database_code_CSD                  XAWYAY
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        pts;sqc183
_chemical_name_systematic
;
catena-[(\m-3,5'-dimethyl-4,4'-bipyrazolato)-mercury(ii)]. 
;
_chemical_formula_sum               'ZB0 ZA0'
_citation_journal_abbrev            INORG.CHIM.ACTA
_citation_year                      2018
_citation_journal_volume            470
_citation_page_first                423
_citation_special_details
;
Experiment details: powder data. File: X.cif. 
CENTAT: Hg1
SIMPLIG:
 ZA=C8H8N4 ZB=Hg
SIMPPAR: METH=Stand; INTRA=V| 
;
loop_
_publ_author_name
'Mosca N.'
'Vismara R.'
'Fernandes J.A.'
'Pettinari C.'
'Galli S.'
_cell_length_a                      16.6742
_cell_length_b                      8.3702
_cell_length_c                      6.9225
_cell_angle_alpha                   90
_cell_angle_beta                    99.8141
_cell_angle_gamma                   90
_cell_volume                        952.0097
_cell_formula_units_Z               4
_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 4 0.25000 0.75000 0.00000 1.0000
ZB1 ZB 4 0.00000 0.11296 0.75000 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 ZB1 4.9140 1 0 0 0 3 0 1 1 v 8
ZA1 ZB1 5.2098 1 0 0 0 1 0 1 -1 v 8
#End of data_0-TOPOS_XAWYAY_pts;sqc183