Information card for entry 2208693

Structure parameters

• Chemical name: Hexadecyltrimethylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^S^4^,S^5^)nickel(III)
• Formula: C25 H42 N Ni S10
• Calculated formula: C25 H42 N Ni S10
• SMILES: C1(=S)SC2=C(S1)S[Ni]1(S2)SC2=C(S1)SC(=S)S2.CCCCCCCCCCCCCCCC[N+](C)(C)C
• Title of publication: Hexadecyltrimethylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)
• Authors of publication: Wang, Yan-Ling; Xu, Dong; Yu, Wen-Tao; Wang, Xin-Qiang; Zhang, Guang-Hui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m757 - m759
• a: 8.051 ± 0.005 Å
• b: 12.24 ± 0.005 Å
• c: 18.316 ± 0.005 Å
• α: 93.426 ± 0.005°
• β: 99.218 ± 0.005°
• γ: 100.494 ± 0.005°
• Cell volume: 1744.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.073
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No