Information card for entry 7108127

Structure parameters

• Formula: C76 H70 B2 F24 Ir N5
• Calculated formula: C76 H70 B2 F24 Ir N5
• Title of publication: Dimethylamine borane dehydrogenation chemistry: syntheses, X-ray and neutron diffraction studies of 18-electron aminoborane and 14-electron aminoboryl complexes
• Authors of publication: Christina Y. Tang; Nicholas Phillips; Joshua I. Bates; Amber L. Thompson; Matthias J. Gutmann; Simon Aldridge
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 8096
• a: 22.8105 ± 0.0002 Å
• b: 19.0153 ± 0.0002 Å
• c: 19.9792 ± 0.0002 Å
• α: 90°
• β: 117.104 ± 0.0004°
• γ: 90°
• Cell volume: 7714.23 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.0866
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No