Information card for entry 4331843

Structure parameters

• Formula: C34 H32 Br4 Cl2 Mn2 N4 O14
• Calculated formula: C34 H30 Br4 Cl2 Mn2 N4 O14
• SMILES: [Mn]1234([OH]C)Oc5ccc(Br)cc5C=[N]2CC[N]3=Cc2cc(Br)ccc2[O]1[Mn]123([OH]C)Oc5ccc(Br)cc5C=[N]2CC[N]3=Cc2cc(Br)ccc2[O]14.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• 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: 11.019 ± 0.002 Å
• b: 13.047 ± 0.003 Å
• c: 14.914 ± 0.003 Å
• α: 90°
• β: 102.78 ± 0.03°
• γ: 90°
• Cell volume: 2091 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No