Information card for entry 2233617

Structure parameters

• Chemical name: Bis(4-cyano-1-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)
• Formula: C22 H14 Cu N8 S4
• Calculated formula: C22 H14 Cu N8 S4
• Title of publication: Bis(4-cyano-1-methylpyridinium) bis(1,2-dicyanoethene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')cuprate(II)
• Authors of publication: Wang, Na; Wang, Jin-Guo; Min, An-Jie; Fu, Yao-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: m164
• a: 12.063 ± 0.002 Å
• b: 6.9282 ± 0.0014 Å
• c: 15.118 ± 0.003 Å
• α: 90°
• β: 91.53 ± 0.003°
• γ: 90°
• Cell volume: 1263 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.101
• 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