Information card for entry 4339044

Structure parameters

• Formula: C43 H57 Co N4 O3
• Calculated formula: C43 H57 Co N4 O3
• SMILES: [Co]1234(Oc5c(C[N]3(Cc3[n]2cccc3)Cc2[n]4cccc2)cc(cc5C(C)(C)C)C(C)(C)C)Oc2c(O1)cc(cc2C(C)(C)C)C(C)(C)C.N#CC
• Title of publication: Formation and characterization of Co(III)-semiquinonate phenoxyl radical species.
• Authors of publication: Shimazaki, Yuichi; Kabe, Ryota; Huth, Stefan; Tani, Fumito; Naruta, Yoshinori; Yamauchi, Osamu
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6083 - 6090
• a: 32.425 ± 0.003 Å
• b: 25.599 ± 0.003 Å
• c: 10.507 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8721.3 ± 1.5 ų
• Cell temperature: 133.2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No