Information card for entry 7003270

Structure parameters

• Formula: C20 H43 B8.5 Ir2
• Calculated formula: C20 H41.5 B8.5 Ir2
• 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: 8.3424 ± 0.0002 Å
• b: 15.4752 ± 0.0003 Å
• c: 19.7068 ± 0.0004 Å
• α: 90°
• β: 94.178 ± 0.001°
• γ: 90°
• Cell volume: 2537.39 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0477
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.226
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No