Information card for entry 4107790

Structure parameters

• Formula: C43 H61 Cl4 Cr N2 O3
• Calculated formula: C43 H61 Cl4 Cr N2 O3
• SMILES: [Cr]123(Cl)(Oc4c(cc(cc4C(C)(C)C)C(C)(C)C)C=[N]2c2c([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)cccc2)[O]1CCC1.ClCCl.ClCCl.CCCCC
• 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: 16.175 ± 0.005 Å
• b: 16.394 ± 0.005 Å
• c: 17.126 ± 0.006 Å
• α: 89.781 ± 0.004°
• β: 88.053 ± 0.004°
• γ: 79.249 ± 0.004°
• Cell volume: 4459 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0908
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No