Information card for entry 4339040

Structure parameters

• Formula: C32 H41 Cl Co N3 O7
• Calculated formula: C32 H41 Cl Co N3 O7
• SMILES: [Co]1234(Oc5c(C[N]3(Cc3[n]2cccc3)Cc2[n]4cccc2)cc(cc5C(C)(C)C)C(C)(C)C)[O]=C(C)C=C(O1)C.Cl(=O)(=O)(=O)[O-]
• 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: 17.443 ± 0.003 Å
• b: 10.229 ± 0.002 Å
• c: 19.207 ± 0.004 Å
• α: 90°
• β: 110.09 ± 0.008°
• γ: 90°
• Cell volume: 3218.5 ± 1.1 ų
• Cell temperature: 133.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.1747
• Goodness-of-fit parameter for all reflections included in the refinement: 0.808
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No