Information card for entry 4072156

Structure parameters

• Formula: C54 H76 Cl2 Cu2 N2 O2
• Calculated formula: C54 H76 Cl2 Cu2 N2 O2
• SMILES: [Cl]1[Cu]2([N](=Cc3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)c2c(cccc2C(C)C)C(C)C)[Cl][Cu]21Oc1c(C=[N]2c2c(cccc2C(C)C)C(C)C)cc(cc1C(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: 12.7591 ± 0.0006 Å
• b: 14.5248 ± 0.0009 Å
• c: 17.2981 ± 0.0011 Å
• α: 111.594 ± 0.002°
• β: 100.07 ± 0.003°
• γ: 104.797 ± 0.003°
• Cell volume: 2750 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0832
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No