Information card for entry 7055143

Structure parameters

• Formula: C24 H32 Br2 Co N7 O3
• Calculated formula: C24 H32 Br2 Co N7 O3
• SMILES: [Co]123(Br)(Br)[n]4ccncc4C(=O)N1c1ccccc1N2C(=O)c1[n]3ccnc1.[N+](CC)(CC)(CC)CC.O
• Title of publication: New ionic cobalt(iii) complexes based on the N,N-bis(2-pyrazinecarboxamide)-1,2-benzene ligand: application to the formation of organic carbonates from epoxides and CO2
• Authors of publication: Adolph, Michael; Zevaco, Thomas A.; Altesleben, Christiane; Staudt, Simone; Walter, Olaf; Dinjus, Eckhard
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 9858
• a: 8.0125 ± 0.0004 Å
• b: 11.3 ± 0.0006 Å
• c: 15.6292 ± 0.0008 Å
• α: 73.057 ± 0.001°
• β: 88.933 ± 0.001°
• γ: 81.351 ± 0.001°
• Cell volume: 1337.8 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No