Information card for entry 7006194

Structure parameters

• Common name: N-cetyl-pyridinium tetracarbonylcobaltate
• Formula: C25 H38 Co N O4
• Calculated formula: C25 H38 Co N O4
• SMILES: [Co](C#[O])(C#[O])(C#[O])C#[O].[n+]1(CCCCCCCCCCCCCCCC)ccccc1
• Title of publication: Novel pyridinium based cobalt carbonyl ionic liquids: synthesis, full characterization, crystal structure and application in catalysis.
• Authors of publication: Deng, Fan-Guo; Hu, Bin; Sun, Wei; Chen, Jing; Xia, Chun-Gu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 38
• Pages of publication: 4262 - 4267
• a: 8.1404 ± 0.0005 Å
• b: 7.1357 ± 0.0004 Å
• c: 46.865 ± 0.003 Å
• α: 90°
• β: 90.824 ± 0.001°
• γ: 90°
• Cell volume: 2722 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No