Information card for entry 7040913

Structure parameters

• Formula: C24 H24 N2 O8 Re2 S2
• Calculated formula: C24 H24 N2 O8 Re2 S2
• SMILES: C(#[O])[Re]1(C#[O])(C#[O])(C#[O])SC(=C2N(C=CN2C2CCCCC2)C2CCCCC2)S[Re]1(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis, characterization, and gas-phase fragmentation of rhenium-carbonyl complexes bearing imidazol(in)ium-2-dithiocarboxylate ligands.
• Authors of publication: Beltrán, Tomás F; Zaragoza, Guillermo; Delaude, Lionel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18346 - 18355
• a: 12.578 ± 0.002 Å
• b: 12.578 ± 0.002 Å
• c: 15.381 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2107.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0434
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No