Information card for entry 7240233

Structure parameters

• Formula: C24 H32 Cl Mn N4 O4
• Calculated formula: C24 H32 Cl Mn N4 O4
• Title of publication: Structural Studies of Manganese(III) Complex with Spin-Crossover and Thermochromic Properties
• Authors of publication: Villaman, David; McMonagle, Charles J.; Probert, Michael; Peña, Octavio; Moreno, Yanko; Fuentealba, Mauricio
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 8.0387 ± 0.0016 Å
• b: 8.3211 ± 0.0016 Å
• c: 19.109 ± 0.004 Å
• α: 90°
• β: 91.225 ± 0.005°
• γ: 90°
• Cell volume: 1277.9 ± 0.4 ų
• Cell temperature: 349.98 K
• Ambient diffraction temperature: 349.98 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1327
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No