Information card for entry 4303142

Structure parameters

• Formula: C47 H55 Cl Cr N4 O6.5 S2.5
• Calculated formula: C47 H55 Cl Cr N4 O6.5 S2.5
• 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: 11.54 ± 0.012 Å
• b: 12.128 ± 0.013 Å
• c: 17.192 ± 0.018 Å
• α: 75.31 ± 0.02°
• β: 89.25 ± 0.02°
• γ: 77.71 ± 0.02°
• Cell volume: 2272 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2313
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.1513
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No