Information card for entry 7229859

Structure parameters

• Formula: C76 H124 Dy6 N2 O34
• Calculated formula: C76 H124 Dy6 N2 O34
• SMILES: C1(C(C)(C)C)O[Dy]2345(OCC6C[N]7=Cc8c9c([O](C)[Dy]%10%11%12%13%14%15OC(=[O][Dy]%16%17%18%197([O]=C([O]2%16)C(C)(C)C)([O]46[Dy]246([O]=C(C(C)(C)C)O3)(O1)([O]5%18C)[O](c1c3c(ccc1)C=[N]1CC5CO[Dy]7%16(OC(=O)C(C)(C)C)([O]=C(C(C)(C)C)O%13)([O]%13C(=[O][Dy]%181%13([O]%10%17[O]%194%18)([O]=C(C(C)(C)C)O2)([O]%1457)([O]63)[O]%15%16C)C(C)(C)C)([OH]C)[O]=C(C(C)(C)C)O%12)C)[O]9%11)C(C)(C)C)ccc8)(OC(=O)C(C)(C)C)[OH]C
• Title of publication: Structure and magnetism of two chair-shaped hexanuclear dysprosium(iii) complexes exhibiting slow magnetic relaxation
• Authors of publication: Liu, Zi-Yuan; Zou, Hua-Hong; Wang, Rong; Chen, Man-Sheng; Liang, Fu-Pei
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 767
• a: 13.4065 ± 0.0003 Å
• b: 21.701 ± 0.0004 Å
• c: 17.9936 ± 0.0004 Å
• α: 90°
• β: 99.84 ± 0.002°
• γ: 90°
• Cell volume: 5157.95 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0652
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.18
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No