Information card for entry 1516520

Structure parameters

• Formula: C27 H26 Cr F3 N4 O5
• Calculated formula: C27 H26 Cr F3 N4 O5
• SMILES: CCCCN1c2ccc3c4[n]2[Cr]2([n]5c1ccc1c5c(O2)ccc1)([O]=CN(C)C)(OC(=O)C(F)(F)F)Oc4ccc3
• Title of publication: Highly active Cr(iii) catalysts for the reaction of CO2 with epoxides
• Authors of publication: Elmas, Sait; Subhani, Muhammad A.; Harrer, Marcus; Leitner, Walter; Sundermeyer, Jörg; Müller, Thomas E.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1652
• a: 12.2189 ± 0.0009 Å
• b: 13.6109 ± 0.0009 Å
• c: 15.9826 ± 0.0011 Å
• α: 90°
• β: 102.501 ± 0.005°
• γ: 90°
• Cell volume: 2595.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1607
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 0.718
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No