Information card for entry 7039540

Structure parameters

• Formula: C76 H92 Al2 N4 O
• Calculated formula: C76 H92 Al2 N4 O
• SMILES: [Al]1(O[Al]2(N(C3=C([NH]2c2c(cccc2C(C)C)C(C)C)c2c4c3cccc4ccc2)c2c(cccc2C(C)C)C(C)C)CC)([NH](C2=C(N1c1c(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: 12.1969 ± 0.0004 Å
• b: 14.9121 ± 0.0005 Å
• c: 19.8954 ± 0.0007 Å
• α: 80.879 ± 0.001°
• β: 76.976 ± 0.001°
• γ: 66.171 ± 0.001°
• Cell volume: 3215.73 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1225
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No