Information card for entry 1540552

Structure parameters

• Formula: C198 H149 F48 N39 O64 Re4 S16 Zn9
• Calculated formula: C183.4 H149 F4.2 N31.7 O33.85 Re2.94 S1.4 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: 38.4811 ± 0.0016 Å
• b: 22.233 ± 0.0009 Å
• c: 33.8318 ± 0.0014 Å
• α: 90°
• β: 115.636 ± 0.001°
• γ: 90°
• Cell volume: 26095.5 ± 1.9 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1103
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.2314
• Weighted residual factors for all reflections included in the refinement: 0.2483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No