Information card for entry 8101733

Structure parameters

• Chemical name: bis(15-crown-5)potassium bis(1,2-dicyanoethene-1,2-dithiolate-S,S')aurate(I)
• Formula: C28 H40 Au K N4 O10 S4
• Calculated formula: C28 H40 Au K N4 O10 S4
• SMILES: [Au]12(SC(=C(S2)C#N)C#N)SC(=C(S1)C#N)C#N.[K]12345678([O]9CC[O]1CC[O]2CC[O]3CC[O]4CC9)[O]1CC[O]6CC[O]7CC[O]8CC[O]5CC1
• Title of publication: Crystal structure of bis(15-crown-5)potassium bis(1,2-dicyanoethene- 1,2-dithiolate-S,S')aurate(I), [K(C~10~H~20~O~5~)~2~][Au(C~4~N~2~S~2~)~2~]
• Authors of publication: Niu, M.-J.; Kong, L.-Q.; Li, D.-C.; Dou, J.-M.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 3
• Pages of publication: 327 - 329
• a: 9.703 ± 0.004 Å
• b: 13.621 ± 0.006 Å
• c: 15.181 ± 0.007 Å
• α: 78.287 ± 0.006°
• β: 77.735 ± 0.006°
• γ: 82.941 ± 0.006°
• Cell volume: 1913.1 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No