Information card for entry 4311584

Structure parameters

• Formula: C40 H62 Cl Cr N2 O2
• Calculated formula: C40 H62 Cl Cr N2 O2
• SMILES: [Cr]123(Cl)Oc4c(cc(cc4C=[N]2[C@H](C(C)(C)C)[C@H]([N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Cyclohexene Oxide/CO2 Copolymerization Catalyzed by Chromium(III) Salen Complexes and N-Methylimidazole: Effects of Varying Salen Ligand Substituents and Relative Cocatalyst Loading
• Authors of publication: Donald J. Darensbourg; Ryan M. Mackiewicz; Jody L. Rodgers; Cindy C. Fang; Damon R. Billodeaux; Joseph H. Reibenspies
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6024 - 6034
• a: 12.104 ± 0.005 Å
• b: 14.875 ± 0.006 Å
• c: 22.512 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4053 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.3237
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.675
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No