Information card for entry 4349702

Structure parameters

• Chemical name: [Na(THF)3][Co(OAr)3]
• Formula: C54 H87 Co Na O6
• Calculated formula: C54 H87 Co Na O6
• SMILES: [Co](Oc1c(C(C)(C)C)cccc1C(C)(C)C)(Oc1c(C(C)(C)C)cccc1C(C)(C)C)Oc1c(C(C)(C)C)cccc1C(C)(C)C.[Na]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: On balancing the QTM and the direct relaxation processes in single-ion magnets ‒ the importance of symmetry control
• Authors of publication: Deng, Yi-Fei; Han, Tian; Yin, Bing; Zheng, Yan-Zhen
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 1141
• a: 12.2547 ± 0.0004 Å
• b: 22.7069 ± 0.0007 Å
• c: 19.3859 ± 0.0007 Å
• α: 90°
• β: 101.927 ± 0.001°
• γ: 90°
• Cell volume: 5278 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0479
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No