Information card for entry 4078688

Structure parameters

• Common name: jonsk47
• Chemical name: Pt(dippe)(s-allyl)(OAc)
• Formula: C19 H40 O2 P2 Pt
• Calculated formula: C19 H40 O2 P2 Pt
• SMILES: [Pt]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(OC(=O)C)CC=C
• Title of publication: Carbon‒Oxygen Bond Activation in Esters by Platinum(0): Cleavage of the Less Reactive Bond
• Authors of publication: Manbeck, Kimberly A.; Kundu, Sabuj; Walsh, Aaron P.; Brennessel, William W.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 14
• Pages of publication: 5018
• a: 10.4961 ± 0.0009 Å
• b: 15.5935 ± 0.0013 Å
• c: 14.4889 ± 0.0012 Å
• α: 90°
• β: 105.047 ± 0.001°
• γ: 90°
• Cell volume: 2290.1 ± 0.3 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: 0.0771
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No