Information card for entry 4069514

Structure parameters

• Formula: C21 H29 Al Cl2 Cr N5
• Calculated formula: C21 H29 Al Cl2 Cr N5
• SMILES: [Cr]1234([Cl][Al]([N]3(CC(n3[n]1c(cc3C)C)n1[n]2c(cc1C)C)Cc1ccccc41)(C)C)Cl
• Title of publication: Crystallographic Revelation of the Role of AlMe3(in MAO) in Cr [NNN] Pyrazolyl Catalyzed Ethylene Trimerization
• Authors of publication: Zhang, Jun; Li, Aifang; Hor, T. S. Andy
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 2935
• a: 18.2839 ± 0.0012 Å
• b: 8.996 ± 0.0006 Å
• c: 14.6015 ± 0.001 Å
• α: 90°
• β: 99.425 ± 0.002°
• γ: 90°
• Cell volume: 2369.3 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No