Information card for entry 4344547

Structure parameters

• Formula: C37 H48 Co N2 O2
• Calculated formula: C37 H48 Co N2 O2
• SMILES: [Co]123[N](=Cc4c(c(cc(c4)c4ccccc4)C(C)(C)C)O1)C(C)(C)C[N]3=C(c1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)C
• 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: 11.176 ± 0.002 Å
• b: 11.627 ± 0.002 Å
• c: 13.726 ± 0.003 Å
• α: 93.431 ± 0.003°
• β: 97.116 ± 0.003°
• γ: 107.884 ± 0.003°
• Cell volume: 1675.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.7749 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No