Information card for entry 7046190

Structure parameters

• Formula: C36 H42.67 Cu F6 N8 O9.33 S2
• Calculated formula: C36 H42.6666 Cu F6 N8 O9.3333 S2
• 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: 20.891 ± 0.0007 Å
• b: 9.2748 ± 0.0002 Å
• c: 25.1344 ± 0.0009 Å
• α: 90°
• β: 114.487 ± 0.004°
• γ: 90°
• Cell volume: 4432 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No