Information card for entry 2234638

Structure parameters

• Chemical name: <i>N</i>-Benzyl-<i>N</i>,<i>N</i>-dimethyloctadecan-1-aminium (2-thioxo-1,3-dithiole-4,5-dithiolato- κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)
• Formula: C33 H50 N Ni S10
• Calculated formula: C33 H50 N Ni S10
• SMILES: [Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.CCCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
• Title of publication: <i>N</i>-Benzyl-<i>N</i>,<i>N</i>-dimethyloctadecan-1-aminium (2-thioxo-1,3-dithiole-4,5-dithiolato-κ^2^<i>S</i>^4^,<i>S</i>^5^)nickelate(III)
• Authors of publication: Liu, Guang-Xiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m678
• a: 12.1626 ± 0.0016 Å
• b: 12.2384 ± 0.0016 Å
• c: 27.778 ± 0.004 Å
• α: 80.388 ± 0.002°
• β: 84.699 ± 0.002°
• γ: 87.431 ± 0.002°
• Cell volume: 4057.5 ± 1 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: 0.1045
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes