Information card for entry 7702468

Structure parameters

• Formula: C78 H59 Cl4 N21 O16 S4 Zn2
• Calculated formula: C78 H32 Cl4 N21 O16 S4 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: 13.43 ± 0.005 Å
• b: 15.088 ± 0.006 Å
• c: 21.65 ± 0.008 Å
• α: 81.05 ± 0.007°
• β: 80.641 ± 0.008°
• γ: 78.684 ± 0.008°
• Cell volume: 4210 ± 3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.2327
• Residual factor for significantly intense reflections: 0.1594
• Weighted residual factors for significantly intense reflections: 0.3834
• Weighted residual factors for all reflections included in the refinement: 0.4198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No