Information card for entry 4134897

Structure parameters

• Formula: C12 H6 N1.5 O2 Pd0.25 Zn0.5
• Calculated formula: C12 H6 N1.5 O2 Pd0.25 Zn0.5
• Title of publication: Visible Light Driven Rotation of Molecular Motors in a Dual-Function Metal Organic Framework Enabled by Energy Transfer.
• Authors of publication: Danowski, Wojciech; Castiglioni, Fabio; Sardjan, Andy; Krause, Simon; Pfeifer, Lukas; Roke, Diederik; Comotti, Angiolina; Browne, Wesley R.; Feringa, Ben L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 16.5927 ± 0.0019 Å
• b: 16.5927 ± 0.0019 Å
• c: 22.318 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6144.5 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.1238
• Weighted residual factors for significantly intense reflections: 0.3295
• Weighted residual factors for all reflections included in the refinement: 0.3715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No