Information card for entry 7717176

Structure parameters

• Formula: C138 H170 Al N6 O12
• Calculated formula: C138 H170 Al N6 O12
• Title of publication: Hydro-coupling of isocyanates promoted by 1,2-bis(arylimino)acenaphthene aluminum hydrides.
• 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: 42
• Pages of publication: 17308 - 17312
• a: 17.4461 ± 0.0003 Å
• b: 18.1446 ± 0.0003 Å
• c: 22.2454 ± 0.0004 Å
• α: 77.716 ± 0.002°
• β: 67.268 ± 0.002°
• γ: 67.259 ± 0.002°
• Cell volume: 5973.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1488
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No