Information card for entry 7237278

Structure parameters

• Formula: C30 H32 Cl Dy N4 O2
• Calculated formula: C30 H32 Cl Dy N4 O2
• Title of publication: Excess axial electrostatic repulsion as a criterion for pentagonal bipyramidal DyIII single-ion magnets with high Ueff and TB
• Authors of publication: Jiang, Zhijie; Sun, Lin; Yang, Qi; Yin, Bing; Ke, Hongshan; Han, Jing; Wei, Qing; Xie, Gang; Chen, Sanping
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 15
• Pages of publication: 4273
• a: 8.6164 ± 0.0009 Å
• b: 18.5966 ± 0.0019 Å
• c: 17.2232 ± 0.0017 Å
• α: 90°
• β: 92.76 ± 0.002°
• γ: 90°
• Cell volume: 2756.6 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0605
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No