Information card for entry 7103136

Structure parameters

• Common name: Cu(i) complex with TBTA
• Formula: C31.5 H33.5 B Cu F4 N10.5 O0.5
• Calculated formula: C31.5 H31 B Cu F4 N10.5 O0.5
• Title of publication: 'Click' cycloaddition catalysts: copper(I) and copper(II) tris(triazolylmethyl)amine complexes.
• Authors of publication: Donnelly, Paul S; Zanatta, Shannon D; Zammit, Steven C; White, Jonathan M; Williams, Spencer J
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 21
• Pages of publication: 2459 - 2461
• a: 16.3055 ± 0.0011 Å
• b: 15.7883 ± 0.001 Å
• c: 25.4248 ± 0.0016 Å
• α: 90°
• β: 96.785 ± 0.001°
• γ: 90°
• Cell volume: 6499.4 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No