Information card for entry 4072157

Structure parameters

• Formula: C31 H49 Al N2
• Calculated formula: C31 H49 Al N2
• SMILES: [Al]1([N](c2c(cccc2C(C)C)C(C)C)=C(C(N1c1c(cccc1C(C)C)C(C)C)(C)C)C)(C)C
• Title of publication: Copper(II) Ethylene Polymerization Catalysts: Do They Really Exist?
• Authors of publication: Olson, Jeremy A.; Boyd, Ramon; Quail, J. Wilson; Foley, Stephen R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5333
• a: 8.4373 ± 0.0005 Å
• b: 9.7007 ± 0.0005 Å
• c: 19.346 ± 0.0011 Å
• α: 82.033 ± 0.004°
• β: 80.769 ± 0.003°
• γ: 69.565 ± 0.003°
• Cell volume: 1458.71 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No