Information card for entry 7046996

Structure parameters

• Formula: C60 H79 Al I2 N4
• Calculated formula: C60 H79 Al I2 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: 10.563 ± 0.003 Å
• b: 14.9 ± 0.004 Å
• c: 19.515 ± 0.005 Å
• α: 110.305 ± 0.017°
• β: 93.09 ± 0.02°
• γ: 92.671 ± 0.018°
• Cell volume: 2869.4 ± 1.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1871
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.2715
• Weighted residual factors for all reflections included in the refinement: 0.3086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No