Information card for entry 4319283

Structure parameters

• Formula: C75 H100 N2 O2 Zn
• Calculated formula: C75 H100 N2 O2 Zn
• SMILES: [Zn]12(Oc3c(C(C)(C)C)cc(cc3C=[N]2c2c(cccc2C(C)C)C(C)C)C(C)(C)C)[N](=Cc2c(O1)c(C(C)(C)C)cc(c2)C(C)(C)C)c1c(cccc1C(C)C)C(C)C.c1ccccc1C.c1c(cccc1)C.c1c(cccc1)C
• 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: 14.3993 ± 0.0013 Å
• b: 15.3231 ± 0.0013 Å
• c: 15.8728 ± 0.0014 Å
• α: 89.257 ± 0.002°
• β: 73.296 ± 0.002°
• γ: 83.682 ± 0.002°
• Cell volume: 3333.4 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1503
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 0.711
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No