Information card for entry 4319278

Structure parameters

• Formula: C40 H50 N2 O2 Zn
• Calculated formula: C40 H48 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(C=[N]1c1c(cccc1C(C)C)C(C)C)cccc3C)Oc1c(C=[N]2c2c(C(C)C)cccc2C(C)C)cccc1C
• Title of publication: Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization
• Authors of publication: Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 986 - 993
• a: 10.3771 ± 0.0013 Å
• b: 17.444 ± 0.002 Å
• c: 19.524 ± 0.002 Å
• α: 90°
• β: 97.494 ± 0.002°
• γ: 90°
• Cell volume: 3504 ± 0.7 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1484
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No