Information card for entry 2213831

Structure parameters

• Chemical name: 1-(4-Cyanobenzyl)-4-methylpyridinium bis(benzene-1,2-dithiolato)nickelate(III)
• Formula: C26 H21 N2 Ni S4
• Calculated formula: C26 H21 N2 Ni S4
• Title of publication: 1-(4-Cyanobenzyl)-4-methylpyridinium bis(benzene-1,2-dithiolato)nickelate(III)
• Authors of publication: Liu, Guang-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: m1707
• a: 42.344 ± 0.003 Å
• b: 7.2455 ± 0.0006 Å
• c: 32.768 ± 0.002 Å
• α: 90°
• β: 96.48 ± 0.005°
• γ: 90°
• Cell volume: 9989.1 ± 1.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.1923
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes