data_0-TOPOS_WONGAJ01_1,1,2,2,4M9-1
_database_code_CSD                  WONGAJ01
_audit_creation_date                12/23/2020
_audit_creation_method              ToposPro
_chemical_formula_structural        1,1,2,2,4M9-1
_chemical_name_systematic
;
trans-Dichloro-bis(ferrocene-1-carbonitrile)-platinum. 
;
_chemical_formula_sum               'Pt0 Ti0 Fe0 Sc0 Cl0'
_citation_journal_abbrev            Organometallics
_citation_year                      2014
_citation_special_details
;
Experiment details: C2/c polymorph. Citation details: is a stereoisom
er of this entry. File: search24.cif. 
CENTAT: Fe1 Pt1
SIMPLIG: Sc=
C6H4N Ti=C5H5| 
;
loop_
_publ_author_name
'Strehler F.'
'Hildebrandt A.'
'Korb M.'
'Ruffer T.'
'Heinrich LANG'
_cell_length_a                      10.5159
_cell_length_b                      10.4311
_cell_length_c                      19.9899
_cell_angle_alpha                   90
_cell_angle_beta                    103.956
_cell_angle_gamma                   90
_cell_volume                        2128.013
_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
Cl1 Cl 8 0.91033 0.14887 0.41740 1.0000
Sc1 Sc 8 0.38333 0.04418 0.41351 1.0000
Fe1 Fe 8 0.36400 0.16708 0.34741 1.0000
Ti1 Ti 8 0.27323 0.27535 0.29769 1.0000
Pt1 Pt 4 0.00000 0.00000 0.50000 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
Cl1 Pt1 2.2969 1 0 0 0 1 1 0 0 v 8
Sc1 Fe1 1.8170 1 0 0 0 1 0 0 0 v 8
Sc1 Pt1 4.7762 1 0 0 0 1 0 0 0 v 8
Fe1 Ti1 1.6483 1 0 0 0 1 0 0 0 v 8
#End of data_0-TOPOS_WONGAJ01_1,1,2,2,4M9-1