Information card for entry 2212239

Structure parameters

• Chemical name: Bis(3-aminopyridine-κN)diisothiocyanatozinc(II)
• Formula: C12 H12 N6 S2 Zn
• Calculated formula: C12 H12 N6 S2 Zn
• SMILES: c1c(ccc[n]1[Zn](N=C=S)(N=C=S)[n]1cc(ccc1)N)N
• Title of publication: Bis(3-aminopyridine-κ<i>N</i>)diisothiocyanatozinc(II)
• Authors of publication: Wan-Long Pan; Xue-Li Niu; Wang Tang; Chang-Wen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m304 - m305
• a: 10.174 ± 0.003 Å
• b: 12.312 ± 0.003 Å
• c: 12.711 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1592.2 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0474
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes