Information card for entry 1546249

Structure parameters

• Formula: C26 H48 K2 O12 S6
• Calculated formula: C26 H48 K2 O12 S6
• SMILES: [K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6.[S-]C(=S)SSC(=S)[S-]
• Title of publication: Metathesis of a UV imido complex: a route to a terminal UV sulfide
• Authors of publication: Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 19.133 ± 0.002 Å
• b: 9.457 ± 0.0007 Å
• c: 22.775 ± 0.002 Å
• α: 90°
• β: 111.465 ± 0.012°
• γ: 90°
• Cell volume: 3835.1 ± 0.7 ų
• Cell temperature: 100.02 ± 0.11 K
• Ambient diffraction temperature: 100.02 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1504
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.209
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No