Information card for entry 7046198

Structure parameters

• Formula: C13 H11 N3
• Calculated formula: C13 H11 N3
• Title of publication: Copper(ii)-benzotriazole coordination compounds in click chemistry: a diagnostic reactivity study.
• Authors of publication: Loukopoulos, Edward; Abdul-Sada, Alaa; Csire, Gizella; Kállay, Csilla; Brookfield, Adam; Tizzard, Graham J.; Coles, Simon J.; Lykakis, Ioannis N.; Kostakis, George E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 31
• Pages of publication: 10491 - 10508
• a: 11.5768 ± 0.0016 Å
• b: 5.9774 ± 0.0008 Å
• c: 16.119 ± 0.002 Å
• α: 90°
• β: 106.541 ± 0.014°
• γ: 90°
• Cell volume: 1069.3 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No