Information card for entry 4075160

Structure parameters

• Formula: C24 H30 O4 Os2
• Calculated formula: C24 H30 O4 Os2
• SMILES: C(#[O])[Os]123456([c]7([c]4([c]3(C)[c]2(C)[c]17C)C)C)C(=O)[Os]12346([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)(C#[O])C5=O
• Title of publication: Efficient Synthesis of the Os−Os Dimers [Cp(CO)2Os]2, [Cp*(CO)2Os]2, and [(iPr4C5H)(CO)2Os]2and Computational Studies on the Relative Stabilities of Their Geometrical Isomers
• Authors of publication: Zhang, Jie; Huang, Kuo-Wei; Szalda, David J.; Bullock, R. Morris
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2209
• a: 9.792 ± 0.002 Å
• b: 8.358 ± 0.0017 Å
• c: 14.374 ± 0.003 Å
• α: 90°
• β: 99.83 ± 0.03°
• γ: 90°
• Cell volume: 1159.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0542
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No