Information card for entry 4075968

Structure parameters

• Formula: C20 H11 N O9 Os3
• Calculated formula: C20 H11 N O9 Os3
• SMILES: C(#[O])[Os]123(C#[O])(C#[O])C4c5cccc6c(cc[n](c56)[Os]15([H]3)(C#[O])(C#[O])(C#[O])[H][Os]245(C#[O])(C#[O])C#[O])C
• 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: 9.6788 ± 0.0012 Å
• b: 10.4164 ± 0.0014 Å
• c: 11.5639 ± 0.0015 Å
• α: 100.764 ± 0.003°
• β: 90.929 ± 0.003°
• γ: 100.978 ± 0.003°
• Cell volume: 1122.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No