Information card for entry 7039539

Structure parameters

• Formula: C53 H69 Al N2 O
• Calculated formula: C53 H69 Al N2 O
• SMILES: [Al]1(Oc2c(cc(cc2C(C)(C)C)C)C(C)(C)C)(N(C2=C([NH]1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)c1c(cccc1C(C)C)C(C)C)CC
• Title of publication: Unexpected reactivity of an alkylaluminum complex of a non-innocent 1,2-bis[(2,6-diisopropylphenyl)imino]acenaphthene ligand (dpp-bian).
• Authors of publication: Moskalev, M. V.; Lukoyanov, A. N.; Baranov, E. V.; Fedushkin, I. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15872 - 15878
• a: 14.8988 ± 0.0004 Å
• b: 16.8722 ± 0.0005 Å
• c: 36.5541 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9188.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0846
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No