Information card for entry 7046999

Structure parameters

• Formula: C66 H84.25 Al I2.75 N4
• Calculated formula: C66 H84.25 Al I2.75 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: 10.6622 ± 0.0002 Å
• b: 25.1991 ± 0.0005 Å
• c: 24.3924 ± 0.0006 Å
• α: 90°
• β: 93.201 ± 0.002°
• γ: 90°
• Cell volume: 6543.5 ± 0.2 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: 0.0734
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1658
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No