Information card for entry 2214567

Structure parameters

• Chemical name: Poly[[bis(18-crown-6)bis(μ~3~-1,1-dicyanoethylene-2,2-\ dithiolato)dipotassium(I)nickelate(II)] 1,2-dichloroethane solvate]
• Formula: C34 H52 Cl2 K2 N4 Ni O12 S4
• Calculated formula: C34 H52 Cl2 K2 N4 Ni O12 S4
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.N#CC(=C1S[Ni]2(S1)SC(=C(C#N)C#N)S2)C#N.C(Cl)CCl.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: Poly[[bis(18-crown-6)bis(μ~3~-1,1-dicyanoethylene-2,2-dithiolato)dipotassium(I)nickelate(II)] 1,2-dichloroethane solvate]
• Authors of publication: Shi-Zhou Fu; Da-Qi Wang; Jian-Ming Dou
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2167 - m2167
• a: 8.271 ± 0.001 Å
• b: 13.067 ± 0.002 Å
• c: 22.207 ± 0.002 Å
• α: 90°
• β: 90.14 ± 0.002°
• γ: 90°
• Cell volume: 2400.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• 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: 0.0892
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes