Information card for entry 7030687

Structure parameters

• Common name: (Pt(9S3)(dpae))(PF6)2
• Formula: C34 H39 As2 F12 N P2 Pt S3
• Calculated formula: C34 H39 As2 F12 N P2 Pt S3
• SMILES: [Pt]123([S]4CC[S]1CC[S]2CC4)[As](CC[As]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 14.524 ± 0.003 Å
• b: 16.183 ± 0.003 Å
• c: 18.869 ± 0.004 Å
• α: 90°
• β: 108.97 ± 0.03°
• γ: 90°
• Cell volume: 4194.1 ± 1.6 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7002473
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No