Information card for entry 7029032

Structure parameters

• Formula: C26 H31 Br2 Co N6 O4
• Calculated formula: C26 H31 Br2 Co N6 O4
• SMILES: [Co]123(Br)(Br)N(c4cc(N(=O)=O)ccc4N1C(=O)c1[n]2cccc1)C(=O)c1[n]3cccc1.[N+](CC)(CC)(CC)CC
• Title of publication: New cobalt, iron and chromium catalysts based on easy-to-handle N4-chelating ligands for the coupling reaction of epoxides with CO2.
• Authors of publication: Adolph, M.; Zevaco, T. A.; Altesleben, C.; Walter, O.; Dinjus, E.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3285 - 3296
• a: 10.273 ± 0.0005 Å
• b: 11.9909 ± 0.0006 Å
• c: 23.3174 ± 0.0012 Å
• α: 90°
• β: 101.622 ± 0.001°
• γ: 90°
• Cell volume: 2813.4 ± 0.2 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: 0.0354
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No