Information card for entry 7110972

Structure parameters

• Chemical name: [Al(L-1)Me2]
• Formula: C29 H54 Al N3 O
• Calculated formula: C29 H54 Al N3 O
• SMILES: [Al]1(Oc2c(cc(cc2C[N]21CCN(C(C)C)CCN(CC2)C(C)C)C(C)(C)C)C(C)(C)C)(C)C
• Title of publication: An unprecedented coordination mode for hemilabile pendant-arm 1,4,7-triazacyclononanes and the synthesis of cationic organoaluminium complexes
• Authors of publication: Robson, David A.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 1269
• a: 10.338 ± 0.0006 Å
• b: 13.956 ± 0.0007 Å
• c: 20.852 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3008.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections: 0.1466
• Weighted residual factors for significantly intense reflections: 0.1446
• Goodness-of-fit parameter for all reflections: 1.41
• Goodness-of-fit parameter for significantly intense reflections: 1.421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No