Information card for entry 7702469

Structure parameters

• Formula: C46 H38 Cl4 Cu2 N14 O24 S4
• Calculated formula: C46 H26 Cl4 Cu2 N14 O24 S4
• 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: 12.0704 ± 0.0017 Å
• b: 13.675 ± 0.002 Å
• c: 19.688 ± 0.003 Å
• α: 94.44 ± 0.003°
• β: 104.884 ± 0.003°
• γ: 106.271 ± 0.003°
• Cell volume: 2975.6 ± 0.8 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: 0.1749
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No