Information card for entry 1516127

Structure parameters

• Formula: C46 H64 Cl6 N6 O7 Zn
• Calculated formula: C46 H64 Cl6 N6 O7 Zn
• Title of publication: Easily accessible bifunctional Zn(salpyr) catalysts for the formation of organic carbonates
• Authors of publication: Martín, C.; Whiteoak, C. J.; Martin, E.; Martínez Belmonte, M.; Escudero-Adán, E. C.; Kleij, A. W.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1615
• a: 11.5808 ± 0.0007 Å
• b: 12.8843 ± 0.0008 Å
• c: 18.9944 ± 0.0011 Å
• α: 78.363 ± 0.002°
• β: 87.683 ± 0.002°
• γ: 87.378 ± 0.002°
• Cell volume: 2771.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0839
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1674
• 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: Yes
• Has Fobs: No