Information card for entry 2217013

Structure parameters

• Chemical name: (Piperazin-1-ium-κN^4^)tris(thiocyanato-κN)zinc(II)
• Formula: C7 H11 N5 S3 Zn
• Calculated formula: C7 H11 N5 S3 Zn
• SMILES: C(=N[Zn](N=C=S)(N=C=S)[NH]1CC[NH2+]CC1)=S
• Title of publication: (Piperazin-1-ium-κ<i>N</i>^4^)tris(thiocyanato-κ<i>N</i>)zinc(II)
• Authors of publication: Xiang He; Hong-Jiang Liu; Ming-Xing Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m122 - m122
• a: 16.8975 ± 0.0008 Å
• b: 11.0467 ± 0.0004 Å
• c: 7.3097 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1364.44 ± 0.1 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: 0.0942
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes