Information card for entry 2012329

Structure parameters

• Chemical name: [2-carbonyl-2,2-bis(triphenylphosphine)-nido-2-osmahexaborane(9)]
• Formula: C37 H39 B5 O Os P2
• Calculated formula: C37 H38 B5 O Os P2
• SMILES: [Os]123(C#[O])([H][BH]452[BH]261[BH]4([BH]12[BH]36[H]1)[H]5)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: The <i>nido</i>‒osmaboranes [2,2,2-(CO)(PPh~3~)~2~-<i>nido</i>-2-OsB~5~H~9~] and [6,6,6-(CO)(PPh~3~)~2~-<i>nido</i>-6-OsB~9~H~13~]
• Authors of publication: Bould, Jonathan; Kennedy, John D.; Thomas, Rhodri Ll.; Rath, Nigam P.; Barton, Lawrence
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1245 - 1247
• a: 16.0054 ± 0.0001 Å
• b: 13.02 ± 0.0001 Å
• c: 17.2445 ± 0.0001 Å
• α: 90°
• β: 105.29 ± 0.01°
• γ: 90°
• Cell volume: 3466.39 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes