Information card for entry 4514040

Structure parameters

• Formula: C24 H18 Cl6 N O5 V
• Calculated formula: C24 H18 Cl6 N O5 V
• SMILES: c12c(cc(cc1C[N]13Cc4cc(cc(c4[O]4C[C@@H](C)O[V]34(=O)(O2)Oc2c(C1)cc(cc2Cl)Cl)Cl)Cl)Cl)Cl
• 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: 7.20833 ± 0.00016 Å
• b: 12.3392 ± 0.0003 Å
• c: 14.6278 ± 0.0005 Å
• α: 90°
• β: 93.647 ± 0.002°
• γ: 90°
• Cell volume: 1298.44 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No