Information card for entry 4303143

Structure parameters

• Formula: C45 H39 Cl3 N4 O4
• Calculated formula: C45 H39 Cl3 N4 O4
• Title of publication: Copolymerization of Epoxides and Carbon Dioxide. Evidence Supporting the Lack of Dual Catalysis at a Single Metal Site
• Authors of publication: Donald J. Darensbourg; Shawn B. Fitch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8668 - 8677
• a: 12.699 ± 0.003 Å
• b: 22.317 ± 0.005 Å
• c: 14.771 ± 0.004 Å
• α: 90°
• β: 110.666 ± 0.003°
• γ: 90°
• Cell volume: 3916.8 ± 1.7 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: 0.1783
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No