Information card for entry 4077765

Structure parameters

• Chemical name: C5Me5Ir(CO)B3H7
• Formula: C11 H22 B3 Ir O
• Calculated formula: C11 H22 B3 Ir O
• SMILES: [Ir]123456([BH2]7[H][BH]817[H][BH2]28)([c]1([c]6([c]5([c]4([c]31C)C)C)C)C)C#[O]
• Title of publication: Novel Iridaboranes from the Reactions of Cp*2Ir2HxCl4-x,x= 0−2, with LiBH4. Existence of a Concurrent Reaction Channel in the Conversion of Metal Chlorides to Metal Hydrides
• Authors of publication: Lei, Xinjian; Bandyopadhyay, Ananda K.; Shang, Maoyu; Fehlner, Thomas P.
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 12
• Pages of publication: 2294
• a: 7.2512 ± 0.0004 Å
• b: 14.4243 ± 0.0018 Å
• c: 28.001 ± 0.004 Å
• α: 90°
• β: 97.4 ± 0.01°
• γ: 90°
• Cell volume: 2904.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No