Information card for entry 2238837

Structure parameters

• Chemical name: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(pyridine-κ<i>N</i>)(thiocyanato-κ<i>N</i>)manganese(III)
• Formula: C16 H19 Mn N2 O4 S
• Calculated formula: C16 H19 Mn N2 O4 S
• SMILES: CC1=CC(C)=[O][Mn]2(N=C=S)(O1)([n]1ccccc1)OC(=CC(C)=[O]2)C
• Title of publication: Bis(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(pyridine-κ<i>N</i>)(thiocyanato-κ<i>N</i>)manganese(III): a redetermination using data from a single crystal
• Authors of publication: Suckert, Stefan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: m657
• a: 13.8803 ± 0.0006 Å
• b: 8.3195 ± 0.0005 Å
• c: 15.9035 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1836.49 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No