Information card for entry 2240485

Structure parameters

• Common name: Bis(4-acetylpyridine-κ<i>N</i>)bis(ethanol-κ<i>O</i>)bis(thiocyanato-\ κ<i>N</i>)manganese(II)
• Chemical name: Bis(ethanol-κ<i>O</i>)bis[1-(pyridin-4-yl)ethan-1-one-\ κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)manganese(II)
• Formula: C20 H26 Mn N4 O4 S2
• Calculated formula: C20 H26 Mn N4 O4 S2
• SMILES: [Mn](N=C=S)(N=C=S)([n]1ccc(cc1)C(=O)C)([n]1ccc(cc1)C(=O)C)([OH]CC)[OH]CC
• Title of publication: Crystal structure of bis(4-acetylpyridine-κ<i>N</i>)bis(ethanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)
• Authors of publication: Werner, Julia; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 4
• Pages of publication: m81 - m82
• a: 6.9547 ± 0.0007 Å
• b: 9.7733 ± 0.0009 Å
• c: 10.1859 ± 0.0009 Å
• α: 117.449 ± 0.01°
• β: 94.978 ± 0.011°
• γ: 93.379 ± 0.011°
• Cell volume: 608.23 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes