Information card for entry 7052844

Structure parameters

• Common name: Marc Fourmigue
• Formula: C13 H20 O5 S4
• Calculated formula: C13 H20 O5 S4
• SMILES: S1C(=O)SC2SCCOCCOCCOCCOCCSC1=2
• Title of publication: Dithiolene complexes as metallo-ligands: a crown-ether approach
• Authors of publication: Famengo, Alessia; Pinero, Dalice; Jeannin, Olivier; Guizouarn, Thierry; Piekara-Sady, Lidia; Fourmigué, Marc
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 3
• Pages of publication: 638
• a: 8.2045 ± 0.0016 Å
• b: 11.888 ± 0.002 Å
• c: 17.949 ± 0.004 Å
• α: 90°
• β: 99.79 ± 0.03°
• γ: 90°
• Cell volume: 1725.2 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No