Information card for entry 7044616

Structure parameters

• Formula: C64 H58 Dy2 N4 O12
• Calculated formula: C64 H58 Dy2 N4 O12
• SMILES: c12C=[N]3c4ccccc4O[Dy]4563([O](C)c3c7c(ccc3)C=[N]3c8ccccc8O[Dy]893([O]5c1c(ccc2)[O]9C)([O]67)([O]=C(c1ccccc1)C=C(O8)c1ccccc1)[O]=CN(C)C)([O]=C(c1ccccc1)C=C(O4)c1ccccc1)[O]=CN(C)C
• 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: 11.2623 ± 0.0002 Å
• b: 15.7686 ± 0.0003 Å
• c: 15.5235 ± 0.0003 Å
• α: 90°
• β: 96.256 ± 0.002°
• γ: 90°
• Cell volume: 2740.41 ± 0.09 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0273
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No