Information card for entry 4079353

Structure parameters

• Formula: C50 H74 N6 O4 Si4 Zn2
• Calculated formula: C50 H74 N6 O4 Si4 Zn2
• SMILES: [Zn@@]12(OC(=[N]3[Zn@](OC(=[N]1c1c(C4OC[C@@H]([N]2=4)C(C)C)cccc1)c1ccccc1)([N]1=C(OC[C@@H]1C(C)C)c1c3cccc1)N([Si](C)(C)C)[Si](C)(C)C)c1ccccc1)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Chiral Amido-Oxazolinate Zinc Complexes for Asymmetric Alternating Copolymerization of CO2and Cyclohexene Oxide
• Authors of publication: Abbina, Srinivas; Du, Guodong
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7394
• a: 21.6521 ± 0.0009 Å
• b: 12.6935 ± 0.0006 Å
• c: 23.1553 ± 0.0013 Å
• α: 90°
• β: 110.138 ± 0.002°
• γ: 90°
• Cell volume: 5975 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No