Information card for entry 4322407

Structure parameters

• Formula: C51 H53 B5 Cl3 O Os P3
• Calculated formula: C51 H46 B5 Cl3 O Os P3
• SMILES: [Os]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([P](c3ccccc3)(c3ccccc3)c3ccccc3)([BH]345[BH]1([H]5)([BH2]3[BH2]24)[BH2][P](C)(c1ccccc1)c1ccccc1)C#[O].C(Cl)(Cl)Cl
• Title of publication: Degradation and Modification of Metallaboranes: Reactions of the Hexaborane(10) Analogue nido-(PPh3)2(CO)OsB5H9 with Phosphines and the Crystal and Molecular Structure of [2,2,2-(PPh3)2(CO)-nido-2-OsB4H7-3-BH2.PPh2Me]
• Authors of publication: Paul McQuade; Kevin Hupp; Jonathan Bould; Hong Fang; Nigam P. Rath; Rhodri Ll. Thomas; Lawrence Barton
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5415 - 5424
• a: 10.7986 ± 0.0002 Å
• b: 12.0402 ± 0.0003 Å
• c: 19.9108 ± 0.0005 Å
• α: 90°
• β: 98.259 ± 0.001°
• γ: 90°
• Cell volume: 2561.9 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1676
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No