Information card for entry 7715161

Structure parameters

• Formula: C86 H99 Al2 N5 O3
• Calculated formula: C86 H99 Al2 N5 O3
• Title of publication: Diversity of transformation of heteroallenes on acenaphthene-1,2-diimine aluminum oxide.
• Authors of publication: Koptseva, Tatyana S.; Skatova, Alexandra A.; Moskalev, Mikhail V.; Rumyantcev, Roman V.; Fedushkin, Igor L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4643 - 4651
• a: 28.4173 ± 0.0015 Å
• b: 12.7221 ± 0.0007 Å
• c: 20.6197 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7454.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1217
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No