Information card for entry 7056814

Structure parameters

• Formula: C66 H64 Co2 Gd2 N2 O20
• Calculated formula: C66 H64 Co2 Gd2 N2 O20
• SMILES: O1[Gd]2345([O]=C(c6ccccc6)O[Gd]67([O]=C(c8ccccc8)O4)([O]=C1c1ccccc1)(OC(=[O]3)c1ccccc1)[O]=C(O[Co]13([N](C)(CC[O]71)CC[OH]3)[O]=C(O6)c1ccccc1)c1ccccc1)[O]=C(O[Co]13([N](C)(CC[O]51)CC[OH]3)[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: 12.454 ± 0.005 Å
• b: 23.648 ± 0.009 Å
• c: 12.216 ± 0.005 Å
• α: 90°
• β: 113.724 ± 0.007°
• γ: 90°
• Cell volume: 3294 ± 2 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: 0.0537
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No