Information card for entry 2234384

Structure parameters

• Chemical name: 3,5-Dimethyl-1-(4-nitrobenzyl)pyridinium bis(benzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)
• Formula: C26 H23 N2 Ni O2 S4
• Calculated formula: C26 H23 N2 Ni O2 S4
• SMILES: N(=O)(=O)c1ccc(cc1)C[n+]1cc(cc(c1)C)C.[Ni]12(Sc3c(cccc3)S1)Sc1ccccc1S2
• Title of publication: 3,5-Dimethyl-1-(4-nitrobenzyl)pyridinium bis(benzene-1,2-dithiolato-κ^2^<i>S</i>,<i>S</i>')nickelate(III)
• Authors of publication: Liu, Guang-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m407
• a: 7.6114 ± 0.0014 Å
• b: 12.01 ± 0.002 Å
• c: 15.317 ± 0.003 Å
• α: 84.546 ± 0.003°
• β: 85.927 ± 0.002°
• γ: 72.435 ± 0.003°
• Cell volume: 1327.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes