Information card for entry 4066927

Structure parameters

• Formula: C21 H41 F6 N O2 Os P2 Si
• Calculated formula: C21 H41 F6 N O2 Os P2 Si
• SMILES: [Os]123([P](C(C)C)(C(C)C)C(C)C)([NH2]CC=C[C]2(C1)=[C]3([Si](C)(C)C)C)(C#[O])C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Efficient Concatenation of C═C Reduction, C−H Bond Activation, and C−C and C−N Coupling Reactions on Osmium: Assembly of Two Allylamines and an Allene
• Authors of publication: Baya, Miguel; Esteruelas, Miguel A.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 23
• Pages of publication: 6298
• a: 30.456 ± 0.005 Å
• b: 12.727 ± 0.002 Å
• c: 14.731 ± 0.003 Å
• α: 90°
• β: 90.44 ± 0.002°
• γ: 90°
• Cell volume: 5709.8 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0973
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No