Information card for entry 2240573

Structure parameters

• Chemical name: Bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)
• Formula: C18 H28 Mn N6 O2 S2
• Calculated formula: C18 H28 Mn N6 O2 S2
• SMILES: C(=N[Mn]([n]1ccc(cc1)N(C)C)([OH]C)(N=C=S)([n]1ccc(cc1)N(C)C)[OH]C)=S
• Title of publication: Crystal structure of bis[4-(dimethylamino)pyridine-κ<i>N</i>^1^]bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)manganese(II)
• Authors of publication: Suckert, Stefan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: m126
• a: 7.0771 ± 0.0007 Å
• b: 8.1586 ± 0.0008 Å
• c: 10.6491 ± 0.001 Å
• α: 76.381 ± 0.011°
• β: 81.672 ± 0.011°
• γ: 79.809 ± 0.011°
• Cell volume: 584.72 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes