Information card for entry 2232679

Structure parameters

• Chemical name: 1-(2,4-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=3S2)SC2SC(=S)SC=2S1.c1(cc(ccc1C[n+]1ccccc1)Cl)Cl
• Title of publication: 1-(2,4-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: 12
• Pages of publication: m1654
• a: 14.4614 ± 0.0005 Å
• b: 8.2158 ± 0.0003 Å
• c: 21.8894 ± 0.0008 Å
• α: 90°
• β: 107.231 ± 0.001°
• γ: 90°
• Cell volume: 2484 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes