Information card for entry 7104670

Structure parameters

• Formula: C66 H59 Cl4 N15 O19 S4 Zn2
• Calculated formula: C58 H43 Cl4 N13 O18 S4 Zn2
• Title of publication: Isomeric pyridyl-thiazole donor units for metal ion recognition in bi- and tri-metallic helicates.
• Authors of publication: Bullock, Sam; Gillie, Lisa J; Harding, Lindsay P; Rice, Craig R; Riis-Johannessen, Thomas; Whitehead, Martina
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 32
• Pages of publication: 4856 - 4858
• a: 12.4711 ± 0.0007 Å
• b: 14.3884 ± 0.0009 Å
• c: 22.2744 ± 0.0013 Å
• α: 101.269 ± 0.001°
• β: 97.531 ± 0.001°
• γ: 99.022 ± 0.001°
• Cell volume: 3817 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1013
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No