Information card for entry 7046193

Structure parameters

• Formula: C96 H88 Cu4 F12 N24 O16 S4
• Calculated formula: C96 H88 Cu4 F12 N24 O16 S4
• 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: 16.6451 ± 0.0003 Å
• b: 17.1433 ± 0.0002 Å
• c: 19.106 ± 0.0003 Å
• α: 90.704 ± 0.001°
• β: 90.042 ± 0.001°
• γ: 97.267 ± 0.001°
• Cell volume: 5407.72 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0818
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No