Information card for entry 4336363

Structure parameters

• Formula: C50 H52 B2 Fe N10 S2
• Calculated formula: C50 H52 B2 Fe N10 S2
• Title of publication: Spin Crossover Meets Diarylethenes: Efficient Photoswitching of Magnetic Properties in Solution at Room Temperature
• Authors of publication: Magdalena Milek; Frank W. Heinemann; Marat M. Khusniyarov
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11585 - 11592
• a: 13.309 ± 0.0013 Å
• b: 15.1515 ± 0.0015 Å
• c: 15.4112 ± 0.0014 Å
• α: 63.665 ± 0.005°
• β: 67.376 ± 0.005°
• γ: 67.038 ± 0.005°
• Cell volume: 2478.7 ± 0.4 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.157
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1946
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No