Information card for entry 4066924

Structure parameters

• Formula: C15 H36 Cl N2 Os P
• Calculated formula: C15 H36 Cl N2 Os P
• SMILES: [Os]123([P](C(C)C)(C(C)C)C(C)C)(Cl)([NH2]C[CH]1=[CH2]2)[NH2]CCC3
• 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: 17.0286 ± 0.0019 Å
• b: 15.1283 ± 0.0017 Å
• c: 14.5231 ± 0.0016 Å
• α: 90°
• β: 99.836 ± 0.008°
• γ: 90°
• Cell volume: 3686.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0505
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No