Information card for entry 7056813

Structure parameters

• Formula: C66 H64 Co2 N2 O20 Y2
• Calculated formula: C66 H64 Co2 N2 O20 Y2
• SMILES: O1[Y]2345([O]=C(c6ccccc6)O[Y]67([O]=C(O4)c4ccccc4)(OC(c4ccccc4)=[O]3)([O]=C1c1ccccc1)[O]=C(O[Co]13([N](C)(CC[OH]3)CC[O]71)[O]=C(O6)c1ccccc1)c1ccccc1)[O]=C(O[Co]13([N](C)(CC[OH]3)CC[O]51)[O]=C(O2)c1ccccc1)c1ccccc1
• Title of publication: Synthesis, structures and magnetic properties of linear {CoII2LnIII2} coordination clusters
• Authors of publication: Chen, Sihuai; Mereacre, Valeriu; Zhao, Zhiying; Zhang, Wanwan; He, Zhangzhen
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 2
• Pages of publication: 1284
• a: 12.481 ± 0.007 Å
• b: 23.401 ± 0.013 Å
• c: 12.163 ± 0.008 Å
• α: 90°
• β: 113.477 ± 0.011°
• γ: 90°
• Cell volume: 3258 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No