Information card for entry 4341541

Structure parameters

• Formula: C78 H114 Co3 N12 O23
• Calculated formula: C78 H114 Co3 N12 O23
• SMILES: [Co]123([O]=C(O[Co]4567[O]=C(O[Co]8([O]5c5c(C9=[NH+]C(C)(C)C(C)(C)N9[O]14)cc(cc5)N(=O)=O)([N]1C(C)(C)C(C)(C)[N](=O)C=1c1c(O8)ccc(N(=O)=O)c1)[O]6N1C(C([NH+]=C1c1c([O]37)ccc(N(=O)=O)c1)(C)C)(C)C)C(C)(C)C)C(C)(C)C)[N]1C(C)(C)C(C)(C)[N](=O)C=1c1c(O2)ccc(N(=O)=O)c1.O=C(C)C.O=C(C)C.CC(=O)C.CCCCCCC
• 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: 18.3225 ± 0.0009 Å
• b: 17.9617 ± 0.001 Å
• c: 27.0801 ± 0.0013 Å
• α: 90°
• β: 93.68 ± 0.003°
• γ: 90°
• Cell volume: 8893.8 ± 0.8 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1525
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No