Information card for entry 2203762

Structure parameters

• Chemical name: (1,4,7,10,13,16-hexaoxacyclooctadecane)potassium dithiocyanatogold(I)
• Formula: C14 H24 Au K N2 O6 S2
• Calculated formula: C14 H24 Au K N2 O6 S2
• SMILES: C(#N)S[Au]SC#N.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
• Title of publication: (1,4,7,10,13,16-Hexaoxacyclooctadecane)potassium dithiocyanatoaurate(I)
• Authors of publication: Coker, Nathan L.; Krause Bauer, Jeanette A.; Elder, R. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m814 - m816
• a: 7.2401 ± 0.0002 Å
• b: 8.0946 ± 0.0002 Å
• c: 10.2386 ± 0.0003 Å
• α: 75.814 ± 0.001°
• β: 70.486 ± 0.001°
• γ: 73.894 ± 0.001°
• Cell volume: 535.62 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0177
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0385
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes