Information card for entry 7700284

Structure parameters

• Formula: C19 H31 Co Er O9 P3
• Calculated formula: C19 H31 Co Er O9 P3
• Title of publication: Design principle of half-sandwich type erbium single-ion magnets through crystal field engineering: a combined magnetic and electronic structure study.
• Authors of publication: Meng, Yin-Shan; Yang, Mu-Wen; Xu, Ling; Xiong, Jin; Hu, Ji-Yun; Liu, Tao; Wang, Bing-Wu; Gao, Song
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 28
• Pages of publication: 10407 - 10411
• a: 20.9027 ± 0.0002 Å
• b: 11.9632 ± 0.00014 Å
• c: 22.3054 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5577.76 ± 0.1 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No