Information card for entry 4317962

Structure parameters

• Formula: C8 H18 O2 Re2 S4
• Calculated formula: C8 H18 O2 Re2 S4
• SMILES: [Re]12(SCCC[S]1[Re]1(SCCC[S]21)(C)=O)(C)=O
• Title of publication: Synthesis and Characterization of Dimetallic Oxorhenium(V) and Dioxorhenium(VII) Compounds, and a Study of Stoichiometric and Catalytic Reactions
• Authors of publication: James H. Espenson; Xiaopeng Shan; Ying Wang; Ruili Huang; David W. Lahti; JaNeille Dixon; Gábor Lente; Arkady Ellern; Ilia A. Guzei
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2583 - 2591
• a: 10.4532 ± 0.0005 Å
• b: 12.8649 ± 0.0007 Å
• c: 10.9873 ± 0.0006 Å
• α: 90°
• β: 91.0931 ± 0.001°
• γ: 90°
• Cell volume: 1477.3 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0233
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No