Information card for entry 2201156

Structure parameters

• Chemical name: bis(tetra-n-butylammonium) bis(2-dicyanomethylene-4,5-dimercapto- 1,3-dithiole)nickel(II)
• Formula: C44 H72 N6 Ni S8
• Calculated formula: C44 H72 N6 Ni S8
• Title of publication: Bis(tetra-<i>n</i>-butylammonium) bis(2-dicyanomethylene-4,5-dimercapto-1,3-dithiole)nickel(II)
• Authors of publication: Tomura, Masaaki; Yamashita, Yoshiro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m133 - m135
• a: 8.252 ± 0.004 Å
• b: 12.012 ± 0.006 Å
• c: 13.867 ± 0.006 Å
• α: 76.26 ± 0.03°
• β: 80.99 ± 0.03°
• γ: 89.69 ± 0.04°
• Cell volume: 1318 ± 1.1 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2393
• Weighted residual factors for all reflections included in the refinement: 0.2711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes