data_0-TOPOS_BAMBUN06_2,5M6-1
_database_code_CSD                  BAMBUN06
_audit_creation_date                9/7/2021
_audit_creation_method              ToposPro
_chemical_formula_structural        2,5M6-1
_chemical_name_systematic
;
bis(Tetra-n-pentylammonium) bis(\m~2~-diphosphito)-bis(\m~2~-hydrogen
diphosphito)-di-platinum. 
;
_chemical_formula_sum               'Pt0 Sc0 Ti0'
_citation_journal_abbrev            BULL.CHEM.SOC.JPN.
_citation_year                      2004
_citation_journal_volume            77
_citation_page_first                933
_citation_special_details
;
Experiment details: polymorph I. File: search24.cif. 
CENTAT: Pt1 Pt
2
SIMPLIG: Sc=H2O5P2 Ti=H3O5P2 V=C20H44N| 
;
loop_
_publ_author_name
'Yasuda N.'
'Uekusa H.'
'Ohashi Y.'
_cell_length_a                      9.6965
_cell_length_b                      17.2492
_cell_length_c                      18.7278
_cell_angle_alpha                   93.6649
_cell_angle_beta                    90.9346
_cell_angle_gamma                   102.8259
_cell_volume                        3046.455
_cell_formula_units_Z               4
_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
Sc2 Sc 2 0.93337 0.35309 0.54949 1.0000
Pt2 Pt 2 0.91075 0.47091 0.43514 1.0000
Ti2 Ti 2 0.77950 0.54178 0.56595 1.0000
Ti1 Ti 2 0.72373 0.94219 0.04180 1.0000
Sc1 Sc 2 0.45966 0.90213 0.87935 1.0000
Pt1 Pt 2 0.40689 0.93676 0.03798 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
Sc2 Pt2 3.0827 1 0 0 0 1 0 0 0 v 2
Sc2 Pt2 3.0694 1 0 0 0 2 2 1 1 v 2
Pt2 Pt2 2.9469 1 0 0 0 2 2 1 1 v 1
Pt2 Ti2 3.0599 1 0 0 0 2 2 1 1 v 2
Pt2 Ti2 3.0863 1 0 0 0 1 0 0 0 v 2
Ti1 Pt1 3.0523 1 0 0 0 1 0 0 0 v 2
Ti1 Pt1 3.1157 1 0 0 0 2 1 2 0 v 2
Sc1 Pt1 3.0664 1 0 0 0 1 0 0 1 v 2
Sc1 Pt1 3.0956 1 0 0 0 2 1 2 1 v 2
Pt1 Pt1 2.9623 1 0 0 0 2 1 2 0 v 1
#End of data_0-TOPOS_BAMBUN06_2,5M6-1