Information card for entry 7718431

Structure parameters

• Formula: C75 H64 N2 O0.14
• Calculated formula: C69 H58 N2 O0.135
• Title of publication: Divergent reduction chemistry of NHC-aluminium(III) hydrides.
• Authors of publication: Murphy, Fáinché; Kennedy, Alan R.; Weetman, Catherine E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 6038 - 6042
• a: 10.6507 ± 0.0003 Å
• b: 13.2966 ± 0.0004 Å
• c: 20.0613 ± 0.0004 Å
• α: 76.589 ± 0.002°
• β: 80.628 ± 0.002°
• γ: 85.538 ± 0.002°
• Cell volume: 2724.31 ± 0.13 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: 0.1326
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No