Information card for entry 7711486

Structure parameters

• Formula: C34 H42 Co N4 O2
• Calculated formula: C34 H42 Co N4 O2
• SMILES: [Co]1234(Oc5c(C(C)(C)C)ccc(C(C)(C)C)c5O1)[n]1c(cccc1C)C[N]2(Cc1[n]3c(C)ccc1)Cc1[n]4cccc1
• Title of publication: Magnetically bistable cobalt-dioxolene complexes with tetradentate N-donor base
• Authors of publication: Chegerev, Maxim; Korchagin, Denis V.; Shilov, Gennady V.; Efimov, N. N.; Starikov, Andrey; Piskunov, Alexandr Vladimirovich; Chernyshev, Anatoly V.; Bulgakov, Alexei; Minkin, Vladimir I.; Palii, Andrei; Aldoshin, Sergey M.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.4993 ± 0.0004 Å
• b: 15.0232 ± 0.0004 Å
• c: 15.4663 ± 0.0005 Å
• α: 90°
• β: 90.154 ± 0.002°
• γ: 90°
• Cell volume: 3136.6 ± 0.16 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0825
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No