Information card for entry 7126086

Structure parameters

• Formula: C67 H75 B Ho N8 O2 Si2
• Calculated formula: C67 H75 B Ho N8 O2 Si2
• Title of publication: Understanding a pentagonal-bipyramidal holmium(iii) complex with a record energy barrier for magnetisation reversal.
• Authors of publication: Ma, Yan; Zhai, Yuan-Qi; Ding, You-Song; Han, Tian; Zheng, Yan-Zhen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 28
• Pages of publication: 3979 - 3982
• a: 13.665 ± 0.002 Å
• b: 14.335 ± 0.002 Å
• c: 17.329 ± 0.003 Å
• α: 95.521 ± 0.002°
• β: 108.465 ± 0.002°
• γ: 90.85 ± 0.002°
• Cell volume: 3201.2 ± 0.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No