Information card for entry 4063981

Structure parameters

• Common name: Pt(dippe)(Ph)(CN)
• Formula: C21 H37 N P2 Pt
• Calculated formula: C21 H37 N P2 Pt
• SMILES: [Pt]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(C#N)c1ccccc1
• Title of publication: C−CN vs C−H Cleavage of Benzonitrile Using [(dippe)PtH]2
• Authors of publication: Swartz, Brett D.; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1523
• a: 7.9737 ± 0.0009 Å
• b: 21.377 ± 0.002 Å
• c: 13.108 ± 0.0015 Å
• α: 90°
• β: 91.193 ± 0.002°
• γ: 90°
• Cell volume: 2233.8 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0858
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No