Information card for entry 4075761

Structure parameters

• Formula: C29 H41 Al Cl I N2
• Calculated formula: C29 H41 Al Cl I N2
• SMILES: [Al]1(I)(Cl)[N](=C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Stepwise Hydrolysis of Aluminum Chloride Iodide LAlClI (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3) in the Presence ofN-Heterocyclic Carbene as Hydrogen Halide Acceptor†
• Authors of publication: Zhu, Hongping; Chai, Jianfang; He, Cheng; Bai, Guangcai; Roesky, Herbert W.; Jancik, Vojtech; Schmidt, Hans-Georg; Noltemeyer, Mathias
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 3
• Pages of publication: 380
• a: 12.5936 ± 0.0007 Å
• b: 19.4927 ± 0.0009 Å
• c: 13.5024 ± 0.0008 Å
• α: 90°
• β: 116.473 ± 0.004°
• γ: 90°
• Cell volume: 2967.1 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0368
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No