Information card for entry 4111961

Structure parameters

• Formula: C54 H81 Cl Cr N2 O2 P
• Calculated formula: C39.5707 H61.5933 Cl0.666667 Cr0.666667 N1.33333 O2.89267 P0.666667
• Title of publication: Role of the Cocatalyst in the Copolymerization of CO2 and Cyclohexene Oxide Utilizing Chromium Salen Complexes
• Authors of publication: Donald J. Darensbourg; Ryan M. Mackiewicz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 14026 - 14038
• a: 10.6357 ± 0.0016 Å
• b: 39.908 ± 0.006 Å
• c: 13.825 ± 0.002 Å
• α: 90°
• β: 94.514 ± 0.003°
• γ: 90°
• Cell volume: 5849.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2798
• Residual factor for significantly intense reflections: 0.0998
• Weighted residual factors for significantly intense reflections: 0.2045
• Weighted residual factors for all reflections included in the refinement: 0.2705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No