Information card for entry 2012895

Structure parameters

• Chemical name: Tetra-n-butylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)
• Formula: C22 H36 N Ni S10
• Calculated formula: C22 H36 N Ni S10
• Title of publication: Tetra-<i>n</i>-butylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)
• Authors of publication: Liu, Guoqun; Xue, Gang; Yu, Wentao; Xu, Wen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: m436 - m438
• a: 20.191 ± 0.002 Å
• b: 13.4041 ± 0.0014 Å
• c: 12.1408 ± 0.0014 Å
• α: 90°
• β: 105.554 ± 0.008°
• γ: 90°
• Cell volume: 3165.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.095
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes