Information card for entry 7062483

Structure parameters

• Formula: C28 H32 Co N8 O2 S4
• Calculated formula: C28 H32 Co N8 O2 S4
• Title of publication: Hexacoordinated Co(ii) complex exhibiting strong magnetic anisotropy and field-induced slow magnetization relaxation: synthesis, magnetic characterization, and quantum-chemical modelling
• Authors of publication: Tupolova, Yulia P.; Lebedev, Vladimir E.; Korchagin, Denis V.; Tkachev, Valery V.; Utenyshev, Andrey N.; Morgunov, Roman B.; Palii, Andrei V.; Shcherbakov, Igor N.; Aldoshin, Sergey M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 22
• Pages of publication: 10884 - 10891
• a: 14.6399 ± 0.0008 Å
• b: 13.9674 ± 0.0005 Å
• c: 17.194 ± 0.0016 Å
• α: 90°
• β: 114.285 ± 0.005°
• γ: 90°
• Cell volume: 3204.7 ± 0.4 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0486
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No