Information card for entry 1549771

Structure parameters

• Formula: C20 H32 P Si2 Y
• Calculated formula: C20 H32 P Si2 Y
• SMILES: [Y]123456789%10%11([p]%12[c]1([Si](C)(C)C)[c]2([c]3([c]4%12[Si](C)(C)C)C)C)[CH]1=[CH]5[CH]6=[CH]7[CH]8=[CH]9[CH]%10=[CH]%111
• 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: 15.2388 ± 0.0007 Å
• b: 10.8568 ± 0.0005 Å
• c: 14.217 ± 0.0008 Å
• α: 90°
• β: 95.18 ± 0.004°
• γ: 90°
• Cell volume: 2342.5 ± 0.2 ų
• Cell temperature: 179.9 ± 0.3 K
• Ambient diffraction temperature: 179.9 ± 0.3 K
• Number of distinct elements: 5
• 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: 0.0625
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No