Information card for entry 7001674

Structure parameters

• Common name: (Al(L2))2
• Formula: C61 H72 Al2 N2 O6
• Calculated formula: C61 H72 Al2 N2 O6
• SMILES: [Al]1234[N](CC[O]1[Al]156[N](CC[O]41)(Cc1c(O6)c(cc(c1)C)C)Cc1c(O5)c(cc(c1)C)C)(Cc1c(O2)c(cc(c1)C)C)Cc1c(O3)c(cc(c1)C)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Synthesis and structure of aluminium amine-phenolate complexes
• Authors of publication: Johnson, Andrew L.; Davidson, Matthew G.; Pérez, Yolanda; Jones, Matthew D.; Merle, Nicolas; Raithby, Paul R.; Richards, Stephen P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 28
• Pages of publication: 5551 - 5558
• a: 10.736 ± 0.0001 Å
• b: 15.696 ± 0.0002 Å
• c: 17.549 ± 0.0003 Å
• α: 83.346 ± 0.001°
• β: 74.345 ± 0.001°
• γ: 74.317 ± 0.001°
• Cell volume: 2738.57 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0535
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.111
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No