Information card for entry 4119882

Structure parameters

• Formula: C27 H26 Br2 Cr Fe Mn N4 O14
• Calculated formula: C27 H26 Br2 Cr Fe Mn N4 O14
• Title of publication: Stimuli Responsive Hybrid Magnets: Tuning the Photoinduced Spin-Crossover in Fe(III) Complexes Inserted into Layered Magnets
• Authors of publication: Miguel Clemente-León; Eugenio Coronado; Maurici López-Jordà; João C. Waerenborgh; Cédric Desplanches; Hongfeng Wang; Jean-François Létard; Andreas Hauser; Antoine Tissot
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 8655 - 8667
• a: 11.7115 ± 0.0004 Å
• b: 31.9453 ± 0.0007 Å
• c: 9.5068 ± 0.0003 Å
• α: 90°
• β: 109.821 ± 0.004°
• γ: 90°
• Cell volume: 3346.04 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No