Information card for entry 1565646

Structure parameters

• Formula: C67 H60 Dy2 N6 O14
• Calculated formula: C67 H60 Dy2 N6 O14
• SMILES: [Dy]123456(OC(=CC(=[O]2)c2ccccc2)c2ccccc2)[O]2[Dy]78([O]=C(c9ccccc9)C=C(O7)c7ccccc7)([O]1c1c(C=[N]5NC(=[O]3)/C(=N/O)C)cccc1)(OC(=CC(=[O]8)c1ccccc1)c1ccccc1)([OH]C)[N](=C(C2=N[N]4=Cc1c(cccc1)O6)C)O.OC
• Title of publication: Solvent-driven structures and slow magnetic relaxation behaviors of dinuclear dysprosium clusters
• Authors of publication: Li, Xiu-Hua; Li, Meng; Gao, Ning; Wei, Hai-Ying; Hou, Yin-Ling; Wu, Zhi-Lei
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 500
• Pages of publication: 119242
• a: 14.2737 ± 0.0007 Å
• b: 15.2603 ± 0.0008 Å
• c: 15.2603 ± 0.0008 Å
• α: 71.83°
• β: 86.193 ± 0.002°
• γ: 86.193 ± 0.002°
• Cell volume: 3147.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No