Information card for entry 1515548

Structure parameters

• Formula: C27 H26 Cl2 Cr Fe Mn N4 O14
• Calculated formula: C27 H26 Cl2 Cr Fe Mn N4 O14
• Title of publication: A hybrid magnet with coexistence of ferromagnetism and photoinduced Fe(iii) spin-crossover
• Authors of publication: Clemente-León, Miguel; Coronado, Eugenio; López-Jordà, Maurici; Desplanches, Cédric; Asthana, Saket; Wang, Hongfeng; Létard, Jean-François
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 6
• Pages of publication: 1121
• a: 12.096 ± 0.005 Å
• b: 32.135 ± 0.005 Å
• c: 9.467 ± 0.005 Å
• α: 90 ± 0.005°
• β: 111.981 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 3412 ± 2 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.1188
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No