Information card for entry 4064620

Structure parameters

• Formula: C32 H30 Cu Fe2 N2 O2
• Calculated formula: C32 H30 Cu Fe2 N2 O2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[cH]2[cH]1[c]16C3=C(CC[c]81[cH]72)C=[N]1CC[N]2=CC4=C([c]56[cH]7[cH]8[cH]9[c]5(CC4)[Fe]45%10%116789[cH]6[cH]4[cH]5[cH]%10[cH]%116)O[Cu]12O3
• Title of publication: Ferrosalen and Ferrosalen-Type Ligands: Structural Modulation and Applications in Asymmetric Catalysis
• Authors of publication: Zhang, Xiang; Luck, Rudy L.; Fang, Shiyue
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2609
• a: 11.314 ± 0.003 Å
• b: 11.314 ± 0.003 Å
• c: 17.897 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1984 ± 0.9 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.1393
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No