Information card for entry 1519928

Structure parameters

• Formula: C54 H62 Co N2 O4
• Calculated formula: C54 H62 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: 9.8997 ± 0.0009 Å
• b: 10.812 ± 0.001 Å
• c: 12.1278 ± 0.0011 Å
• α: 104.002 ± 0.005°
• β: 102.27 ± 0.005°
• γ: 101.408 ± 0.005°
• Cell volume: 1187.5 ± 0.2 ų
• Cell temperature: 305 ± 2 K
• Ambient diffraction temperature: 305 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No