Information card for entry 4075970

Structure parameters

• Formula: C18 H7 N2 O9 Os3
• Calculated formula: C18 H7 N2 O9 Os3
• SMILES: [Os]123([Os]45([Os]1(C#[O])(C#[O])(C#[O])(C2c1cccc2ncc[n]4c12)([H]3)[H]5)(C#[O])(C#[O])C#[O])(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: 11.2089 ± 0.0004 Å
• b: 12.7527 ± 0.0005 Å
• c: 15.4816 ± 0.0007 Å
• α: 85.582 ± 0.002°
• β: 89.192 ± 0.002°
• γ: 84.136 ± 0.002°
• Cell volume: 2194.83 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No