Information card for entry 4086364

Structure parameters

• Formula: C31 H59 Cl6 N O Os P2
• Calculated formula: C31 H59 Cl6 N O Os P2
• SMILES: [OsH]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)(Cl)(Cl)#CCCCNC(=O)c1ccccc1.ClCCl.ClCCl
• Title of publication: Amide-Directed Formation of Five-Coordinate Osmium Alkylidenes from Alkynes.
• Authors of publication: Casanova, Noelia; Esteruelas, Miguel A.; Gulías, Moisés; Larramona, Carmen; Mascareñas, José L; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 2
• Pages of publication: 91 - 99
• a: 15.774 ± 0.004 Å
• b: 13.012 ± 0.003 Å
• c: 20.173 ± 0.005 Å
• α: 90°
• β: 105.651 ± 0.004°
• γ: 90°
• Cell volume: 3987 ± 1.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No