Information card for entry 7105947

Structure parameters

• Formula: C49.47 H68.94 Cl2.94 Co N7 O4
• Calculated formula: C49.47 H68.94 Cl2.94 Co N7 O4
• 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: 12.264 ± 0.01 Å
• b: 14.28 ± 0.012 Å
• c: 15.642 ± 0.013 Å
• α: 101.969 ± 0.01°
• β: 91.656 ± 0.01°
• γ: 103.82 ± 0.01°
• Cell volume: 2593 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.3335
• Residual factor for significantly intense reflections: 0.1377
• Weighted residual factors for significantly intense reflections: 0.2424
• Weighted residual factors for all reflections included in the refinement: 0.3228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No