Information card for entry 7056812

Structure parameters

• Formula: C66 H64 Co2 Dy2 N2 O20
• Calculated formula: C66 H64 Co2 Dy2 N2 O20
• SMILES: C1(c2ccccc2)=[O][Dy]2345([O]=C(O[Co]67([N](CC[O]57)(CC[OH]6)C)[O]=C(O2)c2ccccc2)c2ccccc2)[O]=C(c2ccccc2)O[Dy]25([O]=C(c6ccccc6)O3)([O]=C(c3ccccc3)O4)(O1)[O]=C(O[Co]13([N](CC[O]53)(CC[OH]1)C)[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: 12.513 ± 0.002 Å
• b: 23.56 ± 0.004 Å
• c: 12.192 ± 0.002 Å
• α: 90°
• β: 113.435 ± 0.002°
• γ: 90°
• Cell volume: 3297.8 ± 0.9 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.0278
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No