Information card for entry 7105948

Structure parameters

• Formula: C56 H86 Co N8 O4
• Calculated formula: C56 H86 Co N8 O4
• SMILES: c12ccccc1N(c1ccccc1NC(=O)C(C)C)[Co]1(N2C(=O)C(C)C)N(c2ccccc2N1c1ccccc1NC(=O)C(C)C)C(=O)C(C)C.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Catalytic dioxygen activation by Co(II) complexes employing a coordinatively versatile ligand scaffold
• Authors of publication: Savita K. Sharma; Philip S. May; Matthew B. Jones; Sheri Lense; Kenneth I. Hardcastle; Cora E. MacBeth
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1827
• a: 17.364 ± 0.004 Å
• b: 16.539 ± 0.004 Å
• c: 19.385 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5567 ± 2 ų
• Cell temperature: 172 ± 2 K
• Ambient diffraction temperature: 172 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1796
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No