Information card for entry 2007545

Structure parameters

• Chemical name: Di-μ-phenylthio-tetrakis(triethylphosphine)diplatinum(II) hexafluorophosphate
• Formula: C36 H70 F12 P6 Pt2 S2
• Calculated formula: C36 H70 F12 P6 Pt2 S2
• SMILES: [S]1(c2ccccc2)[Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)[S](c2ccccc2)[Pt]1([P](CC)(CC)CC)[P](CC)(CC)CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Di-μ-phenylthio-bis[bis(triethylphosphine-<i>P</i>)platinum(II)] Bis(hexafluorophosphate), [Pt~2~(μ-SPh)~2~(PEt~3~)~4~](PF~6~)~2~
• Authors of publication: Bruhn, Clemens; Becke, Steffi; Steinborn, Dirk
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1102 - 1103
• a: 11.15 ± 0.002 Å
• b: 11.232 ± 0.002 Å
• c: 12.176 ± 0.003 Å
• α: 65.67 ± 0.02°
• β: 84.14 ± 0.02°
• γ: 65.641 ± 0.013°
• Cell volume: 1261.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.0825
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No