Information card for entry 7110973

Structure parameters

• Chemical name: [Al2(L-2)Me4]
• Formula: C34 H76 Al2 N6 O2
• Calculated formula: C34 H76 Al2 N6 O2
• SMILES: [Al]12([O]3[Al]([O]2[C@@H](C[N]21CCN(C(C)C)CCN(C(C)C)CC2)C)([N]1(CCN(C(C)C)CCN(C(C)C)CC1)C[C@H]3C)(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: 12.269 ± 0.0005 Å
• b: 13.41 ± 0.0006 Å
• c: 12.429 ± 0.0004 Å
• α: 90°
• β: 95.998 ± 0.002°
• γ: 90°
• Cell volume: 2033.71 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections: 0.174
• Weighted residual factors for significantly intense reflections: 0.1677
• Goodness-of-fit parameter for all reflections: 1.298
• Goodness-of-fit parameter for significantly intense reflections: 1.311
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No