Information card for entry 7002470

Structure parameters

• Common name: (Pt(9S3)(AsPh3)2)(PF6)2
• Formula: C44 H48 As2 F12 N2 O4 P2 Pt S3
• Calculated formula: C44 H48 As2 F12 N2 O4 P2 Pt S3
• SMILES: [Pt]12([As](c3ccccc3)(c3ccccc3)c3ccccc3)([As](c3ccccc3)(c3ccccc3)c3ccccc3)[S]3CC[S]1CC[S]2CC3.CN(=O)=O.CN(=O)=O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Thiacrown PtII complexes with group 15 donor ligands: pentacoordination in Pt(II) complexes
• Authors of publication: Grant, Gregory J.; Benefield, Desirée A.; VanDerveer, Donald G.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 40
• Pages of publication: 8605 - 8615
• a: 10.604 ± 0.002 Å
• b: 39.26 ± 0.008 Å
• c: 12.614 ± 0.003 Å
• α: 90°
• β: 106.48 ± 0.03°
• γ: 90°
• Cell volume: 5036 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No