Information card for entry 7715160

Structure parameters

• Formula: C90 H117 Al2 B N4 O7
• Calculated formula: C90 H117 Al2 B N4 O7
• 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: 12.4182 ± 0.0002 Å
• b: 12.9986 ± 0.0003 Å
• c: 14.7 ± 0.0003 Å
• α: 66.956 ± 0.002°
• β: 69.651 ± 0.002°
• γ: 88.084 ± 0.002°
• Cell volume: 2032.7 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0805
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No