Information card for entry 2006792

Structure parameters

• Chemical name: Hexa[2,4,6-tri(isopropyl)thiophenolatogold(I)] Diethyl Ether Solvate
• Formula: C94 H148 Au6 O S6
• Calculated formula: C90 H138 Au6 S6
• SMILES: [S]1([Au][S]([Au][S]([Au][S]([Au][S]([Au][S]([Au]1)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
• Title of publication: <i>cyclo</i>-Hexakis[(2,4,6-triisopropylthiophenolato-<i>S</i>:<i>S</i>)gold(I)] Diethyl Ether Solvate
• Authors of publication: LeBlanc, Daren J.; Lock, Colin J.L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 1765 - 1768
• a: 14.2087 ± 0.0001 Å
• b: 20.3168 ± 0.0003 Å
• c: 19.8322 ± 0.0002 Å
• α: 90°
• β: 110.085 ± 0.0001°
• γ: 90°
• Cell volume: 5376.89 ± 0.1 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for all reflections: 0.1049
• Weighted residual factors for significantly intense reflections: 0.09
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No