Information card for entry 7101915

Structure parameters

• Formula: C23 H27 F6 N4 O10 Re S2
• Calculated formula: C23 H27 F6 N4 O10 Re S2
• SMILES: [Re]1([OH2])([n]2ccccc2N(c2[n]1cccc2)CCC[N+]1(CCCC1)C)(C#[O])(C#[O])C#[O].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A tricarbonyl rhenium(I) complex with a pendant pyrrolidinium moiety as a robust and recyclable catalyst for chemical fixation of carbon dioxide in ionic liquid.
• Authors of publication: Wong, Wing-Leung; Cheung, Kwong-Chak; Chan, Pak-Ho; Zhou, Zhong-Yuan; Lee, Kam-Han; Wong, Kwok-Yin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 21
• Pages of publication: 2175 - 2177
• a: 10.8 ± 0.002 Å
• b: 16.235 ± 0.003 Å
• c: 18.666 ± 0.004 Å
• α: 90°
• β: 102.601 ± 0.003°
• γ: 90°
• Cell volume: 3193.9 ± 1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No