Information card for entry 1556317

Structure parameters

• Formula: C40 H54 N2 O3 Zn
• Calculated formula: C40 H54 N2 O3 Zn
• SMILES: c12c(cc(cc1C=[N]1c3ccccc3[N]3=Cc4c(c(C(C)(C)C)cc(C(C)(C)C)c4)O[Zn]13(O2)[O]1C(C)C1C)C(C)(C)C)C(C)(C)C
• Title of publication: A highly active Zn(salphen) catalyst for production of organic carbonates in a green CO2 medium
• Authors of publication: Taherimehr, Masoumeh; Decortes, Antonello; Al-Amsyar, Syed M.; Lueangchaichaweng, Warunee; Whiteoak, Christopher J.; Escudero-Adán, Eduardo C.; Kleij, Arjan W.; Pescarmona, Paolo P.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 2231
• a: 10.9698 ± 0.0005 Å
• b: 12.9718 ± 0.0006 Å
• c: 13.3427 ± 0.0007 Å
• α: 91.834 ± 0.003°
• β: 104.278 ± 0.003°
• γ: 92.66 ± 0.003°
• Cell volume: 1836.16 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No