Information card for entry 4341538

Structure parameters

• Formula: C46 H66 Co3 N6 O16
• Calculated formula: C46 H66 Co3 N6 O16
• SMILES: C1(C(C)(C)C)=[O][Co]23N4C(C)(C)C(C)(N(=C4c4c([O]3[Co]35(O1)([O]=C(C(C)(C)C)O2)OC(C(C)(C)C)=[O][Co]1(N2C(C)(C)C(C)(C)N(=C2c2c([O]51)ccc(N(=O)=O)c2)=O)OC(C(C)(C)C)=[O]3)ccc(N(=O)=O)c4)=O)C
• 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: 12.6968 ± 0.0014 Å
• b: 9.6253 ± 0.0012 Å
• c: 22.5 ± 0.003 Å
• α: 90°
• β: 98.429 ± 0.007°
• γ: 90°
• Cell volume: 2720 ± 0.6 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: 0.101
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No