Information card for entry 2219901

Structure parameters

• Chemical name: Bis(acetylacetonato-κ^2^O,O')(methanol-κO)(thiocyanato-κN)manganese(III)
• Formula: C12 H18 Mn N O5 S
• Calculated formula: C12 H18 Mn N O5 S
• SMILES: [Mn]12(OC(=CC(=[O]1)C)C)([O]=C(C)C=C(O2)C)([OH]C)N=C=S
• Title of publication: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(methanol-κ<i>O</i>)(thiocyanato-κ<i>N</i>)manganese(III)
• Authors of publication: Meng, Shuang-Ming; Xie, Hai; Fan, Yue-Qin; Guo, Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1363
• a: 7.4795 ± 0.0013 Å
• b: 12.42 ± 0.002 Å
• c: 17.586 ± 0.003 Å
• α: 90°
• β: 98.673 ± 0.004°
• γ: 90°
• Cell volume: 1615 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1605
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes