Information card for entry 7030220

Structure parameters

• Common name: Bis((2,4-di-tertbutyl-6-chloro-2H-benzo(d) (1,2,3)triazol- 2yl)phenoxido) copper(ii)
• Chemical name: Bis{(2,4-di-tertbutyl-6-chloro-2H-benzo[d] [1,2,3]triazol-2yl)phenoxido} copper(II)
• Formula: C40 H44 Cl2 Cu N6 O2
• Calculated formula: C40 H44 Cl2 Cu N6 O2
• Title of publication: Generation and characterisation of the phenoxyl-radical containing Cu(II) complex [Cu(triaz)2]+ (triaz- = O,N chelating triazole-phenolate).
• Authors of publication: Butsch, Katharina; Klein, Axel; Nitsche, Sara; Stirnat, Kathrin; Hawkett, Jonathon R.; McInnes, Eric J. L.; Bauer, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11464 - 11475
• a: 11.2379 ± 0.0016 Å
• b: 13.151 ± 0.002 Å
• c: 13.648 ± 0.002 Å
• α: 85.54 ± 0.02°
• β: 82.776 ± 0.019°
• γ: 80.878 ± 0.018°
• Cell volume: 1972.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1843
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.2041
• Goodness-of-fit parameter for all reflections included in the refinement: 0.682
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No