Information card for entry 7702466

Structure parameters

• Formula: C52 H42 Cl4 N16 O24 S6 Zn2
• Calculated formula: C52 H30 Cl4 N16 O24 S6 Zn2
• Title of publication: New multidentate ligands for supramolecular coordination chemistry: double and triple helical complexes of ligands containing pyridyl and thiazolyl donor units
• Authors of publication: Rice, Craig R.; Wörl, Stefan; Jeffery, John C.; Paul, Rowena L.; Ward, Michael D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 550
• a: 13.329 ± 0.003 Å
• b: 23.158 ± 0.003 Å
• c: 22.379 ± 0.003 Å
• α: 90°
• β: 99.357 ± 0.019°
• γ: 90°
• Cell volume: 6816 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0971
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.2483
• Weighted residual factors for all reflections included in the refinement: 0.263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No