Information card for entry 7111021

Structure parameters

• Formula: C30 H27 Cu F12 N6 O2 P2 S3
• Calculated formula: C30 H15 Cu F12 N6 O2 P2 S3
• 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: 13.9497 ± 0.0014 Å
• b: 23.133 ± 0.002 Å
• c: 22.485 ± 0.002 Å
• α: 90°
• β: 99.792 ± 0.002°
• γ: 90°
• Cell volume: 7150.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1655
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2332
• Weighted residual factors for all reflections included in the refinement: 0.2807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No