Information card for entry 2311491

Structure parameters

• Chemical name: Bis(pyridine-4-carbothioamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)cobalt(II) methanol monosolvate
• Formula: C27 H28 Co N10 O S6
• Calculated formula: C27 H28 Co N10 O S6
• SMILES: [Co](N=C=S)(N=C=S)([n]1ccc(cc1)C(=S)N)([n]1ccc(cc1)C(=S)N)([n]1ccc(cc1)C(=S)N)[n]1ccc(cc1)C(=S)N.OC
• Title of publication: Crystal structure of bis-(pyridine-4-carbo-thio-amide-κ<i>N</i>¹)bis-(thio-cyanato-κ<i>N</i>)cobalt(II) methanol monosolvate.
• Authors of publication: Neumann, Tristan; Jess, Inke; Näther, Christian
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 11
• Pages of publication: 1786 - 1789
• a: 9.3136 ± 0.0003 Å
• b: 12.4532 ± 0.0005 Å
• c: 16.1799 ± 0.0006 Å
• α: 70.584 ± 0.003°
• β: 89.453 ± 0.003°
• γ: 74.996 ± 0.003°
• Cell volume: 1703.51 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No