Information card for entry 7104669

Structure parameters

• Formula: C66.88 H64.32 Cl4 Hg1.29 N13.44 O20 S4 Zn0.71
• Calculated formula: C58.852 H44.278 Cl4 Hg1.286 N13.426 O18 S4 Zn0.714
• 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: 21.571 ± 0.003 Å
• b: 16.707 ± 0.002 Å
• c: 22.669 ± 0.003 Å
• α: 90°
• β: 113.375 ± 0.003°
• γ: 90°
• Cell volume: 7499.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No