Information card for entry 2232455

Structure parameters

• Chemical name: 1-(3,4-Dichlorobenzyl)pyridinium bis(2-sulfanylidene-1,3-dithiole-4,5-dithiolato- κ^2^<i>S</i>,<i>S</i>')nickelate(III)
• Formula: C18 H10 Cl2 N Ni S10
• Calculated formula: C18 H10 Cl2 N Ni S10
• SMILES: [Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.c1c(c(ccc1C[n+]1ccccc1)Cl)Cl
• Title of publication: 1-(3,4-Dichlorobenzyl)pyridinium bis(2-sulfanylidene-1,3-dithiole-4,5-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: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1570
• a: 9.3711 ± 0.0011 Å
• b: 11.721 ± 0.0014 Å
• c: 11.964 ± 0.0014 Å
• α: 82.814 ± 0.001°
• β: 88.854 ± 0.001°
• γ: 76.644 ± 0.001°
• Cell volume: 1268.5 ± 0.3 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: 0.0349
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes