Information card for entry 8101916

Structure parameters

• Chemical name: hexadecyltrimethylammonium bis(1,3-dithiole-2-thione-4,5-dithiolato)aurate(III)
• Formula: C25 H42 Au N S10
• Calculated formula: C25 H42 Au N S10
• SMILES: C1(=S)SC2=C(S1)S[Au]1(S2)SC2=C(S1)SC(=S)S2.C[N+](C)(C)CCCCCCCCCCCCCCCC
• Title of publication: Crystal structure of hexadecyltrimethylammonium bis(1,3-dithiole-2- thione-4,5-dithiolato)aurate(III), [C~16~H~33~(CH~3~)~3~N][Au(C~3~S~5~) ~2~]
• Authors of publication: Li, T.-B.; Xu, D.; Yu, W.-T.; Zhang, G.-H.; Wang, X.-Q.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 55 - 56
• a: 9.806 ± 0.005 Å
• b: 10.298 ± 0.005 Å
• c: 18.66 ± 0.005 Å
• α: 85.925 ± 0.005°
• β: 79.413 ± 0.005°
• γ: 73.551 ± 0.005°
• Cell volume: 1776.1 ± 1.3 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: 0.0893
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No