Information card for entry 7715158

Structure parameters

• Formula: C94 H100 Al2 N5 O3
• Calculated formula: C94 H100 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: 23.6752 ± 0.0002 Å
• b: 13.4747 ± 0.0001 Å
• c: 25.0384 ± 0.0003 Å
• α: 90°
• β: 97.428 ± 0.001°
• γ: 90°
• Cell volume: 7920.62 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No