Information card for entry 2311573

Structure parameters

• Chemical name: (Acetonitrile-κ<i>N</i>)tris(pyridine-4-thioamide-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)cobalt(II) acetonitrile disolvate
• Formula: C26 H27 Co N11 S5
• Calculated formula: C26 H27 Co N11 S5
• Title of publication: Crystal structures of (aceto-nitrile-κ<i>N</i>)tris-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)cobalt(II) aceto-nitrile disolvate and tetra-kis-(pyridine-4-thio-amide-κ<i>N</i>)bis-(thio-cyanate-κ<i>N</i>)nickel(II) methanol penta-solvate.
• Authors of publication: Neumann, Tristan; Jess, Inke; Näther, Christian
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2018
• Journal volume: 74
• Journal issue: Pt 7
• Pages of publication: 964 - 969
• a: 11.3566 ± 0.0004 Å
• b: 12.3251 ± 0.0002 Å
• c: 23.7557 ± 0.0008 Å
• α: 90°
• β: 93.273 ± 0.003°
• γ: 90°
• Cell volume: 3319.69 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No