Information card for entry 7101916

Structure parameters

• Formula: C18 H25 I N4
• Calculated formula: C18 H25 I N4
• SMILES: [I-].N(CCC[N+]1(CCCC1)C)(c1ncccc1)c1ncccc1
• 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: 10.756 ± 0.002 Å
• b: 9.1086 ± 0.0019 Å
• c: 19.236 ± 0.004 Å
• α: 90°
• β: 94.476 ± 0.004°
• γ: 90°
• Cell volume: 1878.9 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No