Information card for entry 1516128

Structure parameters

• Formula: C92 H126 Cl3 Cr2 Li N2 O5
• Calculated formula: C78 H108 Cl3 Cr2 Li N2 O5
• Title of publication: Chromium(iii) amine-bis(phenolate) complexes as catalysts for copolymerization of cyclohexene oxide and CO2
• Authors of publication: Chen, Hua; Dawe, Louise N.; Kozak, Christopher M.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1547
• a: 18.945 ± 0.009 Å
• b: 18.945 ± 0.009 Å
• c: 25.39 ± 0.013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7892 ± 7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.1351
• Residual factor for significantly intense reflections: 0.1211
• Weighted residual factors for significantly intense reflections: 0.3154
• Weighted residual factors for all reflections included in the refinement: 0.3327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.187
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No