Information card for entry 4134930

Structure parameters

• Formula: C13 H15 F3 Hg O2
• Calculated formula: C13 H15 F3 Hg O2
• Title of publication: Regular 2-D Arrays of Surface-Mounted Molecular Switches: Switching Monitored by UV-vis and NMR Spectroscopy.
• Authors of publication: Santos Hurtado, Carina; Bastien, Guillaume; Mašát, Milan; Stoček, Jakub Radek; Dracinsky, Martin; Rončević, Igor; Císařová, Ivana; Rogers, Charles T.; Kaleta, Jiří
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 6.9334 ± 0.0005 Å
• b: 20.6646 ± 0.0016 Å
• c: 9.3354 ± 0.0007 Å
• α: 90°
• β: 91.617 ± 0.003°
• γ: 90°
• Cell volume: 1337.01 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No