Information card for entry 2241715

Structure parameters

• Chemical name: Bis(isonicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc
• Formula: C14 H12 N6 O2 S2 Zn
• Calculated formula: C14 H12 N6 O2 S2 Zn
• SMILES: c1cc(cc[n]1[Zn](N=C=S)(N=C=S)[n]1ccc(cc1)C(=O)N)C(=O)N
• Title of publication: Crystal structure of bis(isonicotinamide-κ<i>N</i>^1^)bis(thiocyanato-κ<i>N</i>)zinc
• Authors of publication: Neumann, Tristan; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 922 - 925
• a: 19.1926 ± 0.0009 Å
• b: 36.3044 ± 0.0012 Å
• c: 5.293 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3688 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes