Information card for entry 4079772

Structure parameters

• Formula: C25 H38 B F4 O6 Os P
• Calculated formula: C25 H38 B F4 O6 Os P
• SMILES: [Os]1234([P](C(C)C)(C(C)C)C(C)C)(=C5O[C@@H]6[C@H]5CC(C(=O)OC)(C(=O)OC)C6)([cH]5[cH]4[cH]3[cH]2[cH]15)C#[O].[B](F)(F)(F)[F-].[Os]1234([P](C(C)C)(C(C)C)C(C)C)(=C5O[C@H]6[C@@H]5CC(C(=O)OC)(C(=O)OC)C6)([cH]5[cH]4[cH]3[cH]2[cH]15)C#[O].[B](F)(F)(F)[F-]
• Title of publication: Osmium-Centered Oxetylidene: Formation and Cleavage
• Authors of publication: Batuecas, María; Esteruelas, Miguel A.; Garc\?ía-Yebra, Cristina; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8079
• a: 12.1397 ± 0.0016 Å
• b: 12.5454 ± 0.0017 Å
• c: 18.85 ± 0.003 Å
• α: 90°
• β: 90.676 ± 0.002°
• γ: 90°
• Cell volume: 2870.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No