Information card for entry 4345573

Structure parameters

• Formula: C14 H11 Cl N2 O4 Re
• Calculated formula: C14 H11 Cl N2 O4 Re
• 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: 7.8623 ± 0.0003 Å
• b: 8.1392 ± 0.0003 Å
• c: 12.4806 ± 0.0005 Å
• α: 76.796 ± 0.001°
• β: 78.376 ± 0.001°
• γ: 88.621 ± 0.001°
• Cell volume: 761.41 ± 0.05 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No