Information card for entry 4107789

Structure parameters

• Formula: C80 H110 Cl Cr2 N4 O6
• Calculated formula: C80 H110 Cl Cr2 N4 O6
• Title of publication: Mechanistic Studies of the Copolymerization Reaction of Oxetane and Carbon Dioxide to Provide Aliphatic Polycarbonates Catalyzed by (Salen)CrX Complexes
• Authors of publication: Donald J. Darensbourg; Adriana I. Moncada; Wonsook Choi; Joseph H. Reibenspies
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6523 - 6533
• a: 12.266 ± 0.005 Å
• b: 14.702 ± 0.005 Å
• c: 21.63 ± 0.005 Å
• α: 102.839 ± 0.005°
• β: 95.784 ± 0.005°
• γ: 100.245 ± 0.005°
• Cell volume: 3702 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No