Information card for entry 7010885

Structure parameters

• Formula: C54 H38 Cl4 N14 O20 S4 Zn2
• Calculated formula: C54 H32 Cl4 N14 O20 S4 Zn2
• Title of publication: Pyridyl–thiazole multidentate ligands: metal-specific recognition of a combination of ligands from a mixture
• Authors of publication: Rice, Craig R.; Baylies, Christian J.; Harding, Lindsay P.; 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: 20
• Pages of publication: 3039
• a: 12.2805 ± 0.0018 Å
• b: 12.5562 ± 0.0018 Å
• c: 21.182 ± 0.003 Å
• α: 90.258 ± 0.002°
• β: 103.166 ± 0.002°
• γ: 100.171 ± 0.002°
• Cell volume: 3126.9 ± 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: 0.0637
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No