Information card for entry 7048451

Structure parameters

• Formula: C18 H66 Br3 Dy N9 O9 P3
• Calculated formula: C18 H66 Br3 Dy N9 O9 P3
• Title of publication: A new air- and moisture-stable pentagonal-bipyramidal Dy^III single-ion magnet based on the HMPA ligand.
• Authors of publication: Li, Lei-Lei; Su, Hong-Dan; Liu, Shuang; Xu, Ya-Chao; Wang, Wen-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 2213 - 2219
• a: 11.624 ± 0.0017 Å
• b: 39.353 ± 0.006 Å
• c: 19.919 ± 0.003 Å
• α: 90°
• β: 101.509 ± 0.003°
• γ: 90°
• Cell volume: 8929 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 7
• 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: 0.2067
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1774
• Goodness-of-fit parameter for all reflections included in the refinement: 0.925
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No