Information card for entry 1540551

Structure parameters

• Formula: C202 H146 F40 N62 O66 S22 Zn9
• Calculated formula: C187 H146 F21 N32.5 O32 S7 Zn9
• Title of publication: Dual stimuli-induced formation of a μ-hydroxido bridged [Zn9L5(μ-OH)6]12+half-pipe
• Authors of publication: Wood, Christopher; Ronson, Tanya; McConnell, Anna; Roberts, Derrick A.; Nitschke, Jonathan
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• a: 36.8 ± 0.017 Å
• b: 36.8 ± 0.017 Å
• c: 35.22 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 41306 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 178
• Hermann-Mauguin space group symbol: P 61 2 2
• Hall space group symbol: P 61 2 (0 0 5)
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2471
• Weighted residual factors for all reflections included in the refinement: 0.2655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No