Information card for entry 4109189

Structure parameters

• Formula: C89 H97 B6 Ir2
• Calculated formula: C83 H82 B6 Ir2
• Title of publication: Metallaborane Reactivity. A Stoichiometric Mechanism for the Insertion of Two Alkynes into an Iridaborane Framework via a Disposable Molybdenum Chaperone
• Authors of publication: Frédéric de Montigny; Ramón Macias; Bruce C. Noll; Thomas P. Fehlner; Karine Costuas; Jean-Yves Saillard; Jean-François Halet
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 3392 - 3401
• a: 11.45 ± 0.0004 Å
• b: 16.02 ± 0.0005 Å
• c: 20.61 ± 0.0007 Å
• α: 84.88 ± 0.0019°
• β: 80.9 ± 0.002°
• γ: 82.22 ± 0.002°
• Cell volume: 3689.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No