Information card for entry 7030677

Structure parameters

• Common name: (HMPAAl(L2))
• Formula: C26 H42 Al N4 O4 P
• Calculated formula: C26 H42 Al N4 O4 P
• SMILES: [Al]123([N](CCO1)(Cc1c(O2)c(cc(c1)C)C)Cc1c(O3)c(cc(c1)C)C)[O]=P(N(C)C)(N(C)C)N(C)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: 13.105 ± 0.0002 Å
• b: 15.516 ± 0.0002 Å
• c: 14.384 ± 0.0002 Å
• α: 90°
• β: 99.828 ± 0.001°
• γ: 90°
• Cell volume: 2881.88 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7001676
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No