Information card for entry 7054377

Structure parameters

• Formula: C42 H71 Co2 N2 O13
• Calculated formula: C42 H71 Co2 N2 O13
• SMILES: [Co]12345Oc6c(C=[N]4C4(C[OH][Co]78([O]=C(O7)C)([O]1CC([N]5=Cc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C)(C[OH]8)CO)[O]2C4)CO)cc(cc6C(C)(C)C)C(C)(C)C.OC.OC.O
• Title of publication: The synthesis, characterization and catecholase activity of dinuclear cobalt(ii/iii) complexes of an O-donor rich Schiff base ligand
• Authors of publication: Dey, Suman Kr; Mukherjee, Arindam
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 10
• Pages of publication: 4985
• a: 10.6122 ± 0.0006 Å
• b: 10.7435 ± 0.0005 Å
• c: 20.9793 ± 0.0013 Å
• α: 85.602 ± 0.004°
• β: 76.259 ± 0.005°
• γ: 86.473 ± 0.004°
• Cell volume: 2314.3 ± 0.2 ų
• Cell temperature: 99.9 ± 0.2 K
• Ambient diffraction temperature: 99.9 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1096
• Residual factor for significantly intense reflections: 0.0929
• Weighted residual factors for significantly intense reflections: 0.2303
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.205
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No