Information card for entry 7003273

Structure parameters

• Formula: C10 H28 B9 Ir
• Calculated formula: C10 H28 B9 Ir
• SMILES: [Ir]12345678([BH]9%10%11[BH]%12%13%14[BH]%15%16%17[H][BH]%18%12%15[H][BH]9%13%18[BH]94%11[BH]43([BH]2%17([BH]1%10%14%16)[H]4)[H]9)[c]1([c]8([c]7([c]6([c]51C)C)C)C)C
• Title of publication: Expansion of iridaborane clusters by addition of monoborane. Novel metallaboranes and mechanistic detail
• Authors of publication: Ghosh, Sundargopal; Noll, Bruce C.; Fehlner, Thomas P.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 3
• Pages of publication: 371
• a: 8.3313 ± 0.0001 Å
• b: 16.0536 ± 0.0002 Å
• c: 13.2029 ± 0.0002 Å
• α: 90°
• β: 100.745 ± 0.001°
• γ: 90°
• Cell volume: 1734.89 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0229
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections included in the refinement: 0.047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No