Information card for entry 4101431

Structure parameters

• Formula: C39 H59 Al N2 Si2
• Calculated formula: C39 H59 Al N2 Si2
• SMILES: [Al]12(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)C(=C2C#C[Si](C)(C)C)[Si](C)(C)C
• 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: 40.07 ± 0.005 Å
• b: 18.332 ± 0.002 Å
• c: 10.556 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7754 ± 2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1309
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.72
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No