Information card for entry 7103135

Structure parameters

• Common name: Cu(ii) complex with TBTA
• Formula: C10 H8 Cl0.5 Cu0.33 N3.33
• Calculated formula: C10 H10 Cl0.5 Cu0.333333 N3.33333
• 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: 17.6375 ± 0.0002 Å
• b: 17.6375 ± 0.0002 Å
• c: 17.6375 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5486.7 ± 0.11 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1969
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2532
• Weighted residual factors for all reflections included in the refinement: 0.326
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No