Information card for entry 4063975

Structure parameters

• Common name: Pt(dippe)(2-C6H4CN)H
• Formula: C21 H37 N P2 Pt
• Calculated formula: C21 H36 N P2 Pt
• SMILES: [Pt]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)c1c(cccc1)C#N
• 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: 17.205 ± 0.004 Å
• b: 7.41 ± 0.0019 Å
• c: 17.5 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2231.1 ± 1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0976
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No