Information card for entry 4101434

Structure parameters

• Formula: C54 H64 Al N2
• Calculated formula: C54 H64 Al N2
• Title of publication: Aluminacyclopropene: syntheses, characterization, and reactivity toward terminal alkynes.
• Authors of publication: Zhu, Hongping; Oswald, Rainer B; Fan, Hongjun; Roesky, Herbert W; Ma, Qingjun; Yang, Zhi; Schmidt, Hans-Georg; Noltemeyer, Mathias; Starke, Kerstin; Hosmane, Narayan S
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Journal issue: 15
• Pages of publication: 5100 - 5108
• a: 14.641 ± 0.003 Å
• b: 19.674 ± 0.004 Å
• c: 16.162 ± 0.003 Å
• α: 90°
• β: 99.78 ± 0.03°
• γ: 90°
• Cell volume: 4587.7 ± 1.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No