Information card for entry 4112886

Structure parameters

• Formula: C42.32 H68.79 Al N2 O2.89 Si2
• Calculated formula: C42.321 H68.786 Al N2 O2.893 Si2
• Title of publication: A Seven-Membered Aluminum Sulfur Allenyl Heterocycle Arising from the Conversion of an Aluminacyclopropene with CS2
• Authors of publication: Hongping Zhu; Jianfang Chai; Qingjun Ma; Vojtech Jancik; Herbert W. Roesky; Hongjun Fan; Regine Herbst-Irmer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 10194 - 10195
• a: 10.166 ± 0.002 Å
• b: 12.781 ± 0.003 Å
• c: 17.393 ± 0.004 Å
• α: 77.19 ± 0.03°
• β: 87.82 ± 0.03°
• γ: 81.06 ± 0.03°
• Cell volume: 2176.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0368
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No