Information card for entry 7111022

Structure parameters

• Formula: C76 H58 Cl4 Cu2 N20 O17 S4
• Calculated formula: C76 H32 Cl4 Cu2 N20 O17 S4
• Title of publication: Pyridyl-thiazoles as a new class of ligand for metallosupramolecular chemistry: formation of double and triple helicates with Cu(ii)
• Authors of publication: Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 16
• Pages of publication: 1529
• a: 13.4641 ± 0.0013 Å
• b: 15.0528 ± 0.0015 Å
• c: 21.859 ± 0.002 Å
• α: 80.685 ± 0.002°
• β: 81.242 ± 0.002°
• γ: 77.288 ± 0.002°
• Cell volume: 4233.2 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1853
• Residual factor for significantly intense reflections: 0.0984
• Weighted residual factors for significantly intense reflections: 0.2353
• Weighted residual factors for all reflections included in the refinement: 0.2884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No