Information card for entry 4514041

Structure parameters

• Formula: C24 H17 Cl7 N O5 V
• Calculated formula: C24 H17 Cl7 N O5 V
• Title of publication: Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate
• Authors of publication: Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 4
• Pages of publication: 2367
• a: 7.1728 ± 0.0012 Å
• b: 13.0626 ± 0.0015 Å
• c: 28.541 ± 0.004 Å
• α: 90°
• β: 96.136 ± 0.005°
• γ: 90°
• Cell volume: 2658.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1184
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1772
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No