Information card for entry 7046191

Structure parameters

• Formula: C46 H36 Cu F6 N8 O6 S2
• Calculated formula: C46 H36 Cu F6 N8 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: 9.0686 ± 0.0006 Å
• b: 11.2199 ± 0.0006 Å
• c: 12.0883 ± 0.0008 Å
• α: 115.102 ± 0.006°
• β: 104.812 ± 0.006°
• γ: 93.484 ± 0.005°
• Cell volume: 1056.48 ± 0.14 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.1948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No