Information card for entry 4331842

Structure parameters

• Formula: C46 H26 Br12 Mn2 N4 O8
• Calculated formula: C46 H26 Br12 Mn2 N4 O8
• Title of publication: Syntheses, Crystal Structures, and Magnetic Characterization of Five New Dimeric Manganese(III) Tetradentate Schiff Base Complexes Exhibiting Single-Molecule-Magnet Behavior
• Authors of publication: Lü, Zhengliang; Yuan, Mei; Pan, Feng; Gao, Song; Zhang, Deqing; Zhu, Daoben
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3538 - 3548
• a: 12.606 ± 0.003 Å
• b: 15.713 ± 0.003 Å
• c: 14.343 ± 0.003 Å
• α: 90°
• β: 115.67 ± 0.03°
• γ: 90°
• Cell volume: 2560.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1178
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No