Information card for entry 4075971

Structure parameters

• Formula: C20 H9 N O9 Os3
• Calculated formula: C20 H9 N O9 Os3
• SMILES: [Os]123([Os]4([Os]51([n]1ccc(c6cccc(C245)c16)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])[H]3)(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of Electron-Deficient Triosmium Clusters with Diazomethane: Electrochemical Properties and Computational Studies of Charge Distribution
• Authors of publication: Mottalib, Md. Abdul; Begum, Noorjahan; Abedin, S. M. Tareque; Akter, Tahmina; Kabir, Shariff E.; Miah, Md. Arzu; Rokhsana, Dalia; Rosenberg, Edward; Hossain, G. M. Golzar; Hardcastle, Kenneth I.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 4747
• a: 15.731 ± 0.004 Å
• b: 8.9 ± 0.002 Å
• c: 16.263 ± 0.003 Å
• α: 90°
• β: 100.16 ± 0.02°
• γ: 90°
• Cell volume: 2241.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0445
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No