Information card for entry 7115025

Structure parameters

• Formula: C94 H115 Al4 N5 O12
• Calculated formula: C94 H115 Al4 N5 O12
• Title of publication: Novel organoaluminium (and gallium) carboxylate-bridged ring systems
• Authors of publication: Redshaw, Carl; Elsegood, Mark R. J.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 19
• Pages of publication: 2016
• a: 17.8616 ± 0.0019 Å
• b: 27.115 ± 0.003 Å
• c: 19.081 ± 0.002 Å
• α: 90°
• β: 95.703 ± 0.002°
• γ: 90°
• Cell volume: 9195.5 ± 1.7 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• 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: 0.1756
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1392
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.6878 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No