Information card for entry 7000138

Structure parameters

• Formula: C36.6 H29.4 Cl2 Cu2 F5 N4.8 O2
• Calculated formula: C36.6 H29.4 Cl2 Cu2 F5 N4.8 O2
• Title of publication: Selective copper(II)-mediated oxidative coupling of a nucleophilic reagent to the para-methyl group of 2,4,6-trimethylphenol.
• Authors of publication: Boldron, Christophe; Ozalp-Yaman, Seniz; Gamez, Patrick; Tooke, Duncan M.; Spek, Anthony L.; Reedijk, Jan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 21
• Pages of publication: 3535 - 3541
• a: 9.1219 ± 0.0003 Å
• b: 9.5962 ± 0.0003 Å
• c: 11.469 ± 0.0005 Å
• α: 77.4552 ± 0.0014°
• β: 66.6665 ± 0.0016°
• γ: 70.856 ± 0.002°
• Cell volume: 866.44 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No