Information card for entry 4066925

Structure parameters

• Formula: C16 H36 Cl N2 O Os P
• Calculated formula: C16 H36 Cl N2 O Os P
• SMILES: [Os]1([P](C(C)C)(C(C)C)C(C)C)(Cl)([NH2]CC=C1)([NH2]CCC)C#[O]
• 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: 8.3543 ± 0.0007 Å
• b: 10.685 ± 0.0009 Å
• c: 12.0981 ± 0.001 Å
• α: 81.434 ± 0.001°
• β: 70.245 ± 0.001°
• γ: 82.22 ± 0.001°
• Cell volume: 1000.85 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0455
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No