Information card for entry 4341539

Structure parameters

• Formula: C26 H30 Co N6 O8
• Calculated formula: C26 H30 Co N6 O8
• SMILES: [Co]12(Oc3c(C4=[N]1C(C([N]4=O)(C)C)(C)C)cc(N(=O)=O)cc3)Oc1c(C3[N](=O)C(C([N]2=3)(C)C)(C)C)cc(N(=O)=O)cc1
• Title of publication: Redox-induced change in the ligand coordination mode.
• Authors of publication: Ovcharenko, Victor; Kuznetsova, Olga; Fursova, Elena; Romanenko, Galina; Polushkin, Alexey; Sagdeev, Renad
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 10033 - 10035
• a: 12.339 ± 0.0006 Å
• b: 12.3526 ± 0.0007 Å
• c: 18.0137 ± 0.0009 Å
• α: 90°
• β: 98.427 ± 0.002°
• γ: 90°
• Cell volume: 2716 ± 0.2 ų
• Cell temperature: 240 ± 2 K
• Ambient diffraction temperature: 240 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No