Information card for entry 4134899

Structure parameters

• Formula: C36 H24 N4 O6 Pd0.5 Zn
• Calculated formula: C36 H24 N4 O6 Pd0.5 Zn
• 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: 7.8815 ± 0.0011 Å
• b: 15.761 ± 0.002 Å
• c: 33.58 ± 0.005 Å
• α: 90°
• β: 93.75 ± 0.004°
• γ: 90°
• Cell volume: 4162.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No