Information card for entry 2216130

Structure parameters

• Chemical name: Bis(piperidinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^S,S')nickel(II)
• Formula: C18 H24 N6 Ni S4
• Calculated formula: C18 H24 N6 Ni S4
• SMILES: C(#N)C1=C(C#N)S[Ni]2(S1)SC(=C(C#N)S2)C#N.[NH2+]1CCCCC1.C1CCCC[NH2+]1
• Title of publication: Bis(piperidinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickel(II)
• Authors of publication: Yong Hou; Hongrong Zuo; Qian Huang; Chunlin Ni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2802 - m2802
• a: 6.5959 ± 0.0009 Å
• b: 9.4351 ± 0.0013 Å
• c: 9.5669 ± 0.0013 Å
• α: 91.477 ± 0.002°
• β: 100.083 ± 0.002°
• γ: 100.425 ± 0.002°
• Cell volume: 575.49 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes