Information card for entry 7226776

Structure parameters

• Chemical name: 3
• Formula: C66 H76 Dy2 N6 O18
• Calculated formula: C66 H76 Dy2 N6 O18
• SMILES: c12c(cc(cc1C=[N]1C3(C[OH][Dy]451([OH]2)([O](C3)[Dy]1236([N](=Cc7c(c(cc(c7)C)/C=N/C(C)(CO)CO)[OH]1)C(C[OH]2)(C[O]53)C)(OC(=O)c1ccccc1)[O]=C(O6)c1ccccc1)(OC(=O)c1ccccc1)[O]=C(O4)c1ccccc1)C)C)/C=N/C(C)(CO)CO.N#CC.N#CC
• Title of publication: Syntheses, Structures and Magnetic Properties of Symmetrical Schiff-base Supported Dinuclear Ln(III) Compounds
• Authors of publication: Lin, Shuang-Yan; Wang, Chunlai; Xu, Zhikun
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 13.988 ± 0.002 Å
• b: 15.402 ± 0.002 Å
• c: 15.741 ± 0.002 Å
• α: 90°
• β: 98.823 ± 0.002°
• γ: 90°
• Cell volume: 3351.2 ± 0.8 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No