Information card for entry 2241387

Structure parameters

• Chemical name: Diaquabis(2,6-dimethylpyrazine-κ<i>N</i>^4^)bis(thiocyanato-κ<i>N</i>)cobalt(II) 2,5-dimethylpyrazine monosolvate
• Formula: C20 H28 Co N8 O2 S2
• Calculated formula: C20 H28 Co N8 O2 S2
• SMILES: C(=N[Co]([OH2])([n]1cc(C)nc(c1)C)(N=C=S)([OH2])[n]1cc(C)nc(c1)C)=S.c1(C)ncc(C)nc1
• Title of publication: Crystal structure of diaquabis(2,6-dimethylpyrazine-κ<i>N</i>^4^)bis(thiocyanato-κ<i>N</i>)cobalt(II) 2,5-dimethylpyrazine monosolvate
• Authors of publication: Suckert, Stefan; Wöhlert, Susanne; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: m242 - m243
• a: 8.3009 ± 0.0004 Å
• b: 9.0466 ± 0.0005 Å
• c: 10.42 ± 0.0006 Å
• α: 96.64 ± 0.004°
• β: 105.82 ± 0.004°
• γ: 116.07 ± 0.004°
• Cell volume: 650.68 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes