Information card for entry 2235452

Structure parameters

• Chemical name: Diaquabis[<i>N</i>-(pyridin-4-yl)isonicotinamide- κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Formula: C24 H22 Co N8 O4 S2
• Calculated formula: C24 H22 Co N8 O4 S2
• SMILES: [Co]([n]1ccc(cc1)NC(=O)c1ccncc1)([n]1ccc(cc1)NC(=O)c1ccncc1)(N=C=S)(N=C=S)([OH2])[OH2]
• Title of publication: Diaquabis[<i>N</i>-(pyridin-4-yl)isonicotinamide-κ<i>N</i>]bis(thiocyanato-κ<i>N</i>)cobalt(II)
• Authors of publication: Uebler, Jacob W.; LaDuca, Robert L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m867
• a: 7.0651 ± 0.0004 Å
• b: 9.3943 ± 0.0005 Å
• c: 10.5943 ± 0.0006 Å
• α: 81.433 ± 0.001°
• β: 76.343 ± 0.001°
• γ: 71.697 ± 0.001°
• Cell volume: 646.58 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes