Information card for entry 7703452

Structure parameters

• Formula: C12 H36 B3 Dy O3
• Calculated formula: C12 H36 B3 Dy O3
• Title of publication: Equatorial coordination optimization for enhanced axiality of mononuclear Dy(iii) single-molecule magnets.
• Authors of publication: Yu, Ke-Xin; Ding, You-Song; Zhai, Yuan-Qi; Han, Tian; Zheng, Yan-Zhen
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 10
• Pages of publication: 3222 - 3227
• a: 9.2218 ± 0.0003 Å
• b: 14.4491 ± 0.0004 Å
• c: 14.5213 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1934.92 ± 0.1 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250.15 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No