Information card for entry 7234306

Structure parameters

• Formula: C8 H28 Cl3 Dy O22
• Calculated formula: C8 H28 Cl3 Dy O22
• SMILES: [Dy]123([O]4CC[O]3CC[O]2CC[O]1CC4)([OH2])([OH2])([OH2])([OH2])[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O
• Title of publication: Placing a crown on DyIII - a dual property LnIII crown ether complex displaying optical properties and SMM behaviour
• Authors of publication: Emma L. Gavey; Majeda Al Hareri; Jeffery Regier; Luis D. Carlos; Rute A. S. Ferreira; Fereidoon S. Razavi; Jeremy M. Rawson; Melanie Pilkington
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 7738 - 7747
• a: 13.1195 ± 0.0007 Å
• b: 10.2129 ± 0.0006 Å
• c: 17.5681 ± 0.001 Å
• α: 90°
• β: 93.941 ± 0.002°
• γ: 90°
• Cell volume: 2348.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0213
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.334
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No