Information card for entry 2225439

Structure parameters

• Chemical name: [2-(Piperidin-1-yl)ethylamine]dithiocyanatozinc(II)
• Formula: C9 H16 N4 S2 Zn
• Calculated formula: C9 H16 N4 S2 Zn
• SMILES: [Zn]1([NH2]CC[N]21CCCCC2)(N=C=S)N=C=S
• Title of publication: [2-(Piperidin-1-yl)ethylamine]dithiocyanatozinc(II)
• Authors of publication: Wang, Chen-Yi; Ke, Ai-Fei; Wu, Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m350
• a: 9.561 ± 0.002 Å
• b: 10.31 ± 0.002 Å
• c: 14.398 ± 0.003 Å
• α: 90°
• β: 97.367 ± 0.003°
• γ: 90°
• Cell volume: 1407.6 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes