Information card for entry 2200340

Structure parameters

• Common name: NacNacAlH2
• Formula: C29 H43 Al N2
• Calculated formula: C29 H43 Al N2
• SMILES: [N]1(=C(C=C(N([AlH2]1)c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A primary monomeric alane: [<i>N</i>,<i>N</i>'-bis(2,6-diisopropylphenyl)pentane-2,4-diiminato-<i>N</i>,<i>N</i>']dihydridoaluminium
• Authors of publication: Twamley, Brendan; Hardman, Ned J.; Power, Philip P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 6
• Pages of publication: m227 - m228
• a: 12.472 ± 0.0009 Å
• b: 16.07 ± 0.0012 Å
• c: 14.0635 ± 0.0011 Å
• α: 90°
• β: 104.66 ± 0.02°
• γ: 90°
• Cell volume: 2726.9 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.093
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes