Information card for entry 4317963

Structure parameters

• Formula: C6 H12 O6 Re2 S2
• Calculated formula: C6 H12 O6 Re2 S2
• SMILES: [C@H]1(CS[Re](=O)(=O)(O1)C)[C@H]1CS[Re](C)(=O)(=O)O1
• 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: 6.0438 ± 0.0006 Å
• b: 7.3445 ± 0.0008 Å
• c: 7.84 ± 0.0008 Å
• α: 76.275 ± 0.002°
• β: 87.151 ± 0.002°
• γ: 69.755 ± 0.002°
• Cell volume: 316.98 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No