Information card for entry 7046998

Structure parameters

• Formula: C54 H74 Al I N4
• Calculated formula: C54 H74 Al I N4
• Title of publication: Normal and abnormal NHC coordination in cationic hydride iodide complexes of aluminium.
• Authors of publication: Trose, Michael; Burnett, Stuart; Bonyhady, Simon J.; Jones, Cameron; Cordes, David B.; Slawin, Alexandra M. Z.; Stasch, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 30
• Pages of publication: 10281 - 10287
• a: 10.9058 ± 0.0008 Å
• b: 22.4121 ± 0.0013 Å
• c: 21.6328 ± 0.0014 Å
• α: 90°
• β: 92.055 ± 0.002°
• γ: 90°
• Cell volume: 5284.1 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• 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: 0.0393
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No