Information card for entry 1519929

Structure parameters

• Formula: C82 H94 Co N2 O4
• Calculated formula: C82 H94 Co N2 O4
• Title of publication: Bidirectional photoswitching of magnetic properties at room temperature: ligand-driven light-induced valence tautomerism
• Authors of publication: Witt, Alexander; Heinemann, Frank W.; Khusniyarov, Marat M.
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 4599
• a: 16.5308 ± 0.0006 Å
• b: 11.7257 ± 0.0004 Å
• c: 18.9821 ± 0.0007 Å
• α: 90°
• β: 107.445 ± 0.002°
• γ: 90°
• Cell volume: 3510.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• 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: 0.0473
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No