Information card for entry 4345538

Structure parameters

• Formula: C17 H12 Cl N2 O4 Re
• Calculated formula: C17 H12 Cl N2 O4 Re
• SMILES: [Re]1(Cl)([n]2ccccc2C2OC(C[N]1=2)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Electrochemical Reduction of CO2 Catalyzed by Re(pyridine-oxazoline)(CO)3Cl Complexes.
• Authors of publication: Nganga, John K.; Samanamu, Christian R.; Tanski, Joseph M.; Pacheco, Carlos; Saucedo, Cesar; Batista, Victor S.; Grice, Kyle A.; Ertem, Mehmed Z.; Angeles-Boza, Alfredo M
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3214 - 3226
• a: 8.7276 ± 0.0004 Å
• b: 11.426 ± 0.0005 Å
• c: 18.129 ± 0.0007 Å
• α: 90°
• β: 102.419 ± 0.001°
• γ: 90°
• Cell volume: 1765.55 ± 0.13 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• 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: 0.0233
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No