Information card for entry 2219623

Structure parameters

• Chemical name: Bis(diethylenetriamine-κ^3^N,N',N'')nickel(II) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')nickel(II)
• Formula: C16 H26 N10 Ni2 S4
• Calculated formula: C16 H26 N10 Ni2 S4
• SMILES: [Ni]12(SC(=C(S1)C#N)C#N)SC(=C(S2)C#N)C#N.[Ni]1234([NH2]CC[NH]1CC[NH2]2)[NH2]CC[NH]3CC[NH2]4
• Title of publication: Bis(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')nickel(II) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Authors of publication: Zhang, Dao-Peng; Wang, Hai-Long; Zhang, Li-Fang; Ni, Zhong-Hai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1264 - m1265
• a: 9.589 ± 0.003 Å
• b: 16.91 ± 0.005 Å
• c: 16.146 ± 0.004 Å
• α: 90°
• β: 97.491 ± 0.004°
• γ: 90°
• Cell volume: 2595.7 ± 1.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes