Information card for entry 4113835

Structure parameters

• Formula: C125.48 H134.54 Cl2 Cr2 N6 O4
• Calculated formula: C125.49 H134.56 Cl2 Cr2 N6 O4
• Title of publication: Comparative Kinetic Studies of the Copolymerization of Cyclohexene Oxide and Propylene Oxide with Carbon Dioxide in the Presence of Chromium Salen Derivatives. In Situ FTIR Measurements of Copolymer vs Cyclic Carbonate Production
• Authors of publication: Donald J. Darensbourg; Jason C. Yarbrough; Cesar Ortiz; Cindy C. Fang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7586 - 7591
• a: 22.37 ± 0.005 Å
• b: 20.764 ± 0.005 Å
• c: 23.028 ± 0.006 Å
• α: 90°
• β: 98.579 ± 0.005°
• γ: 90°
• Cell volume: 10577 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.4369
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.661
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No