Information card for entry 7026766

Structure parameters

• Formula: C39 H63 Al N2
• Calculated formula: C39 H63 Al N2
• SMILES: [Al](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(CCCC)(CCCC)CCCC
• Title of publication: N-Heterocyclic carbene stabilized adducts of alkyl magnesium amide, bisalkyl magnesium and Grignard reagents: trapping oligomeric organo s-block fragments with NHCs.
• Authors of publication: Kennedy, Alan R.; Mulvey, Robert E.; Robertson, Stuart D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 9091 - 9099
• a: 9.515 ± 0.0005 Å
• b: 10.4747 ± 0.0004 Å
• c: 19.0528 ± 0.0008 Å
• α: 97.775 ± 0.003°
• β: 97.597 ± 0.004°
• γ: 93.331 ± 0.004°
• Cell volume: 1859.37 ± 0.15 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No