Information card for entry 7045233

Structure parameters

• Formula: C18 H24 Co N14 O6
• Calculated formula: C18 H24 Co N14 O6
• SMILES: c1[n]([Co]([n]2cc[nH]c2)([n]2cc[nH]c2)([n]2cc[nH]c2)([n]2cc[nH]c2)[n]2cc[nH]c2)cc[nH]1.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Slow magnetic relaxation influenced by change of symmetry from ideal C_i to D_3d in cobalt(ii)-based single-ion magnets.
• Authors of publication: Chen, Lei; Zhou, Jianjun; Cui, Hui-Hui; Yuan, Ai-Hua; Wang, Zhenxing; Zhang, Yi-Quan; Ouyang, Zhong-Wen; Song, You
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 8
• Pages of publication: 2506 - 2510
• a: 12.3648 ± 0.0012 Å
• b: 12.3648 ± 0.0012 Å
• c: 14.547 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1926.1 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0597
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No