Information card for entry 4109213

Structure parameters

• Formula: C38 H42 B9 Cl Os P2
• Calculated formula: C38 H42 B9 Cl Os P2
• SMILES: [OsH]123(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[B]456([BH]789[BH]%10%11%12[BH]%13%14%15[BH]%16%17%10[BH]%107%11[BH]%17([CH]%14%16[B]26%15([BH]48%12%13)[H]3)[CH]59%10)[H]1
• Title of publication: Stable exo-nido-Metallacarboranes (M = OsIV) that Incorporatemeta-Carborane-Based Dicarbollide Ligands
• Authors of publication: Elena V. Balagurova; Dmitri N. Cheredilin; Galina D. Kolomnikova; Oleg L. Tok; Fedor M. Dolgushin; Alexander I. Yanovsky; Igor T. Chizhevsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3745 - 3753
• a: 11.216 ± 0.004 Å
• b: 12.711 ± 0.006 Å
• c: 14.318 ± 0.005 Å
• α: 95.62 ± 0.03°
• β: 106.15 ± 0.03°
• γ: 91.1 ± 0.03°
• Cell volume: 1949 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No