Information card for entry 1549768

Structure parameters

• Formula: C20 H32 Er P Si2
• Calculated formula: C20 H32 Er P Si2
• SMILES: [Er]123456789%10%11([p]%12[c]%11([Si](C)(C)C)[c]%10([c]9([c]8%12[Si](C)(C)C)C)C)[CH]8=[CH]7[CH]6=[CH]5[CH]4=[CH]3[CH]2=[CH]18
• 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: 15.1266 ± 0.0006 Å
• b: 10.815 ± 0.0004 Å
• c: 14.256 ± 0.0008 Å
• α: 90°
• β: 95.164 ± 0.004°
• γ: 90°
• Cell volume: 2322.73 ± 0.18 ų
• Cell temperature: 180 ± 0.1 K
• Ambient diffraction temperature: 180 ± 0.1 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: 0.0626
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No