Information card for entry 7046997

Structure parameters

• Formula: C33 H41 Al I2 N2
• Calculated formula: C33 H41 Al I2 N2
• 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: 12.5143 ± 0.0014 Å
• b: 19.343 ± 0.002 Å
• c: 13.9711 ± 0.0016 Å
• α: 90°
• β: 99.898 ± 0.002°
• γ: 90°
• Cell volume: 3331.6 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No