Information card for entry 7044617

Structure parameters

• Formula: C66 H76 Dy2 N2 O18
• Calculated formula: C66 H76 Dy2 N2 O18
• SMILES: c12ccccc1[N]1=Cc3c4[O]5[Dy]671(O2)(OC(=CC(=[O]7)c1ccccc1)c1ccccc1)([OH]C)[O]1c2c(C=[N]7c8c(cccc8)O[Dy]8517([O](c4ccc3)C)(OC(=CC(=[O]8)c1ccccc1)c1ccccc1)[OH]C)cccc2[O]6C.CO.CO.CO.CO.CO.CO
• Title of publication: Crystal structures and magnetic properties of two series of phenoxo-O bridged dinuclear Ln2 (Ln = Gd, Tb, Dy) complexes
• Authors of publication: Machata, Marek; Herchel, Radovan; Nemec, Ivan; Travnicek, Zdenek
• Journal of publication: Dalton Transactions
• Year of publication: 2017
• a: 10.8879 ± 0.0002 Å
• b: 12.2929 ± 0.0002 Å
• c: 13.6009 ± 0.0003 Å
• α: 65.334 ± 0.002°
• β: 78.453 ± 0.002°
• γ: 74.994 ± 0.002°
• Cell volume: 1589.06 ± 0.06 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0183
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No