Information card for entry 7702470

Structure parameters

• Formula: C54 H38 Cl4 Cu2 N14 O20 S4
• Calculated formula: C54 H32 Cl4 Cu2 N14 O20 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: 12.4345 ± 0.0006 Å
• b: 12.5367 ± 0.0006 Å
• c: 20.9227 ± 0.0011 Å
• α: 89.891 ± 0.001°
• β: 76.842 ± 0.001°
• γ: 79.206 ± 0.001°
• Cell volume: 3116.9 ± 0.3 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: 0.1106
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No