Information card for entry 4110891

Structure parameters

• Formula: C15 H22 B F3 O Pt
• Calculated formula: C15 H22 B F3 O Pt
• SMILES: [Pt]1234([O]([C@@H]5[C@H]1[C@H]1CC[C@@H]5C1)[B](F)(F)F)[CH]1=[CH]2CC[CH]3=[CH]4CC1.[Pt]1234([O]([C@H]5[C@@H]1[C@@H]1CC[C@H]5C1)[B](F)(F)F)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Reversible Alkene Extrusion from Platinaoxetanes
• Authors of publication: Endre Szuromi; Jianguo Wu; Paul R. Sharp
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 12088 - 12089
• a: 13.6535 ± 0.0006 Å
• b: 11.685 ± 0.0005 Å
• c: 18.6671 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2978.2 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0614
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No