Information card for entry 2241953

Structure parameters

• Chemical name: Bis(3,5-dimethylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>n</i>)cobalt(II)
• Formula: C18 H26 Co N4 O2 S2
• Calculated formula: C18 H26 Co N4 O2 S2
• SMILES: C(=N[Co]([OH]C)([n]1cc(cc(c1)C)C)(N=C=S)([OH]C)[n]1cc(cc(c1)C)C)=S
• Title of publication: Crystal structure of bis(3,5-dimethylpyridine-κ<i>N</i>)bis(methanol-κ<i>O</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Suckert, Stefan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1824 - 1826
• a: 7.7027 ± 0.0005 Å
• b: 7.8688 ± 0.0005 Å
• c: 9.197 ± 0.0005 Å
• α: 87.403 ± 0.005°
• β: 81.419 ± 0.005°
• γ: 76.295 ± 0.005°
• Cell volume: 535.48 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes