Information card for entry 1549767

Structure parameters

• Formula: C20 H32 P Si2 Tb
• Calculated formula: C20 H32 P Si2 Tb
• SMILES: [Tb]123456789%10%11([CH]%12=[CH]1[CH]2=[CH]3[CH]8=[CH]7[CH]6=[CH]5%12)[c]1([p]%11[c]9([Si](C)(C)C)[c]%10([c]41C)C)[Si](C)(C)C
• Title of publication: A soft phosphorus atom to "harden" an erbium(iii) single-ion magnet.
• Authors of publication: Chen, Shi-Ming; Xiong, Jin; Zhang, Yi-Quan; Yuan, Qiong; Wang, Bing-Wu; Gao, Song
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 38
• Pages of publication: 7540 - 7545
• a: 12.8319 ± 0.0007 Å
• b: 18.8787 ± 0.0012 Å
• c: 9.3269 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2259.4 ± 0.2 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No