Information card for entry 4344548

Structure parameters

• Formula: C68 H90 Co2 N4 O4
• Calculated formula: C68 H90 Co2 N4 O4
• Title of publication: Electronic Structure Description of a Doubly Oxidized Bimetallic Cobalt Complex with Proradical Ligands.
• Authors of publication: Clarke, Ryan M.; Hazin, Khatera; Thompson, John R.; Savard, Didier; Prosser, Kathleen E.; Storr, Tim
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 762 - 774
• a: 16.0869 ± 0.0013 Å
• b: 19.859 ± 0.002 Å
• c: 25.845 ± 0.003 Å
• α: 97.903 ± 0.004°
• β: 106.447 ± 0.003°
• γ: 103.449 ± 0.003°
• Cell volume: 7516.5 ± 1.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.1811
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1629
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No