Information card for entry 4105880

Structure parameters

• Formula: C18 H22 Er
• Calculated formula: C18 H22 Er
• Title of publication: An Organometallic Single-Ion Magnet
• Authors of publication: Shang-Da Jiang; Bing-Wu Wang; Hao-Ling Sun; Zhe-Ming Wang; Song Gao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4730 - 4733
• a: 10.346 ± 0.002 Å
• b: 12.941 ± 0.002 Å
• c: 11.634 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1557.6 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• 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: 0.025
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No