Information card for entry 2230909

Structure parameters

• Chemical name: Bis(3-methylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc
• Formula: C14 H14 N4 S2 Zn
• Calculated formula: C14 H14 N4 S2 Zn
• SMILES: C(=N[Zn](N=C=S)([n]1cc(ccc1)C)[n]1cc(ccc1)C)=S
• Title of publication: Bis(3-methylpyridine-κ<i>N</i>)bis(thiocyanato-κ<i>N</i>)zinc
• Authors of publication: Boeckmann, Jan; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m994
• a: 8.151 ± 0.0004 Å
• b: 13.7382 ± 0.0005 Å
• c: 15.0111 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1680.94 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes