Information card for entry 2011687

Structure parameters

• Chemical name: 2,5:6,9:8,9-tri-μH-2-carbonyl-4-chloro-2-bis(trimethylphosphine)-2-irido- nido-nonaborane(11)
• Formula: C7 H28 B8 Cl Ir O P2
• Calculated formula: C7 H28 B8 Cl Ir O P2
• SMILES: [Ir]1234([P](C)(C)C)([P](C)(C)C)([BH]56[BH]781[B]195([Cl])[BH]26([BH]259[BH]681[BH]137[BH]26([H]1)[H]5)[H]4)C#[O]
• Title of publication: Two iridanonaborane compounds
• Authors of publication: Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 49 - 51
• a: 9.2655 ± 0.0001 Å
• b: 12.1784 ± 0.0001 Å
• c: 16.8668 ± 0.0001 Å
• α: 90°
• β: 94.702 ± 0.001°
• γ: 90°
• Cell volume: 1896.83 ± 0.03 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.021
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes