Information card for entry 8101734

Structure parameters

• Chemical name: bis{[acetonitrile-N-(3,6'-dimethyldibenzo-18-crown-6)]potassium-bis(1,1- dicyanoethenedithiolato-S,S')]nickel(II)
• Formula: C56 H62 K2 N6 Ni O12 S4
• Calculated formula: C56 H62 K2 N6 Ni O12 S4
• Title of publication: Crystal structure of bis[{acetonitrile-N-3,6'-bis(methylbenzo)-18- crown-6}potassium]bis(1,1-dicyanoethene- 2,2-dithiolato-S,S')nickel (II), [{K(C~22~H~28~O~6~)(CH~3~CN)}~2~{Ni(C~4~N~2~S~2~)}~2~]
• Authors of publication: D.-C. Li; S.-C. Feng; J.-M. Dou; D.-Q. Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 330 - 332
• a: 12.241 ± 0.007 Å
• b: 12.583 ± 0.008 Å
• c: 12.585 ± 0.008 Å
• α: 88.711 ± 0.009°
• β: 65.351 ± 0.009°
• γ: 65.629 ± 0.009°
• Cell volume: 1578.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1097
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.2045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No