Information card for entry 7115845

Structure parameters

• Formula: C23 H21 Dy O8
• Calculated formula: C23 H21 Dy O8
• Title of publication: Experimental and theoretical evidence that electrostatics governs easy-axis orientation in DyIII-based molecular chains
• Authors of publication: Julie Jung; Francois Le Natur; Olivier Cador; Fabrice Pointillart; Guillaume Calvez; Carole Daiguebonne; Olivier Guillou; Thierry Guizouarn; Boris Le Guennic; Kevin Bernot
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 13346
• a: 9.6458 ± 0.0002 Å
• b: 10.0989 ± 0.0003 Å
• c: 12.4871 ± 0.0004 Å
• α: 95.43 ± 0.002°
• β: 104.581 ± 0.003°
• γ: 97.247 ± 0.002°
• Cell volume: 1157.65 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No