Information card for entry 4342846

Structure parameters

• Formula: C45 H21 Dy2 F36 N3 O15
• Calculated formula: C45 H21 Dy2 F36 N3 O15
• SMILES: [Dy]12345([O](=n6ccccc6)[Dy]678([O]1=n1ccccc1)([O]=C(C(F)(F)F)C=C(O7)C(F)(F)F)([O]2=n1ccccc1)(OC(=CC(=[O]8)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O6)C(F)(F)F)([O]=C(C=C(O5)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O3)C(F)(F)F
• Title of publication: Rational Organization of Lanthanide-Based SMM Dimers into Three-Dimensional Networks.
• Authors of publication: Yi, Xiaohui; Calvez, Guillaume; Daiguebonne, Carole; Guillou, Olivier; Bernot, Kevin
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5213 - 5219
• a: 19.573 ± 0.005 Å
• b: 14.57 ± 0.005 Å
• c: 21.236 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.948 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 6048 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.073
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No