Information card for entry 7000139

Structure parameters

• Formula: C21 H19 Cl3 Cu2 N4 O
• Calculated formula: C21 H19 Cl3 Cu2 N4 O
• 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: 16.4463 ± 0.001 Å
• b: 7.7606 ± 0.001 Å
• c: 18.5145 ± 0.0009 Å
• α: 90°
• β: 114.62 ± 0.003°
• γ: 90°
• Cell volume: 2148.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No