Information card for entry 4109215

Structure parameters

• Formula: C38 H43 B9 Os P2
• Calculated formula: C38 H43 B9 Os P2
• SMILES: [OsH2]1234([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[CH]567[BH]891[BH]1%105[BH]5%116[BH]627[BH]27%11[BH]%11%105[BH]591[CH]138[BH]462[BH]7%1151
• 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: 9.5182 ± 0.0009 Å
• b: 10.1237 ± 0.001 Å
• c: 19.7856 ± 0.0019 Å
• α: 80.437 ± 0.002°
• β: 78.666 ± 0.002°
• γ: 80.784 ± 0.002°
• Cell volume: 1827.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0729
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No