Information card for entry 7042616

Structure parameters

• Formula: C52 H71 Al N2 O6
• Calculated formula: C52 H71 Al N2 O6
• Title of publication: Aluminum complexes derived from a hexadentate salen-type Schiff base: synthesis, structure, and catalysis for cyclic carbonate synthesis
• Authors of publication: Xu, Ya; Yuan, Dan; Wang, Yaorong; Yao, Yingming
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.0607 ± 0.0008 Å
• b: 14.0829 ± 0.0007 Å
• c: 14.2229 ± 0.0007 Å
• α: 110.791 ± 0.005°
• β: 104.661 ± 0.005°
• γ: 99.32 ± 0.004°
• Cell volume: 2446.5 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1349
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.24
• Weighted residual factors for all reflections included in the refinement: 0.2831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No