Information card for entry 7046200

Structure parameters

• Formula: C32 H31 Cu F6 N9 O6 S2
• Calculated formula: C32 H31 Cu F6 N9 O6 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: 14.1878 ± 0.0005 Å
• b: 13.3086 ± 0.0005 Å
• c: 40.4807 ± 0.0013 Å
• α: 90°
• β: 90.608 ± 0.003°
• γ: 90°
• Cell volume: 7643.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1173
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2448
• Weighted residual factors for all reflections included in the refinement: 0.2638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No