Information card for entry 4070816

Structure parameters

• Formula: C25 H46 B F3 O P2 Pt
• Calculated formula: C25 H46 B F3 O P2 Pt
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)[O]([C@H]2[C@@H]1[C@@H]1CC[C@H]2C1)[B](F)(F)F.c1ccccc1.[Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)[O]([C@@H]2[C@H]1[C@H]1CC[C@@H]2C1)[B](F)(F)F.c1ccccc1
• Title of publication: A Family of Platinaoxetanes
• Authors of publication: Wu, Jianguo; Sharp, Paul R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1234
• a: 9.8764 ± 0.0011 Å
• b: 21.34 ± 0.002 Å
• c: 13.5382 ± 0.0014 Å
• α: 90°
• β: 93.188 ± 0.002°
• γ: 90°
• Cell volume: 2848.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0308
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No