Information card for entry 2005747

Structure parameters

• Chemical name: Tris(N,N-diethyldithiocarbamato-S,S')nickel(IV) 1,1,2,3,3-pentacyanopropenide
• Formula: C23 H30 N8 Ni S6
• Calculated formula: C23 H20 N8 Ni S6
• Title of publication: Tris(<i>N</i>,<i>N</i>-diethyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(IV) 1,1,2,3,3-Pentacyanopropenide
• Authors of publication: Chen, W.; Li, H.; Zhong, Z.-J.; Zhang, K.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3030 - 3033
• a: 13.904 ± 0.002 Å
• b: 17.525 ± 0.002 Å
• c: 13.406 ± 0.002 Å
• α: 90°
• β: 95.964 ± 0.006°
• γ: 90°
• Cell volume: 3248.9 ± 0.8 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections: 0.1063
• Weighted residual factors for significantly intense reflections: 0.0994
• Goodness-of-fit parameter for all reflections: 1.083
• Goodness-of-fit parameter for significantly intense reflections: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No