Information card for entry 2204456

Structure parameters

• Chemical name: Tris(ethylenediamine-κ^2^N,N')zinc(II) bis[2,3-dimercaptobutenedinitrile(2-)-κ^2^S,S']zincate(II)
• Formula: C14 H24 N10 S4 Zn2
• Calculated formula: C14 H24 N10 S4 Zn2
• SMILES: C(#N)C1S[Zn]2(SC(=C(S2)C#N)C#N)SC=1C#N.C1C[NH2][Zn]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3
• Title of publication: Tris(ethylenediamine-κ^2^<i>N,N</i>')zinc(II) bis[2,3-dimercaptobutenedinitrile(2‒)-κ^2^<i>S,S</i>']zincate(II)
• Authors of publication: Fu, Ai-Yun; Wang, Da-Qi; Yu, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: m1736 - m1737
• a: 12.0231 ± 0.0012 Å
• b: 14.269 ± 0.003 Å
• c: 14.559 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2497.7 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0969
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes