Information card for entry 4121539

Structure parameters

• Formula: C44 H70 Er N3 O2
• Calculated formula: C44 H63 Er N3 O2
• Title of publication: Equatorially coordinated lanthanide single ion magnets.
• Authors of publication: Zhang, Peng; Zhang, Li; Wang, Chao; Xue, Shufang; Lin, Shuang-Yan; Tang, Jinkui
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 12
• Pages of publication: 4484 - 4487
• a: 9.7539 ± 0.0006 Å
• b: 19.1763 ± 0.0012 Å
• c: 12.7327 ± 0.0008 Å
• α: 90°
• β: 112.144 ± 0.001°
• γ: 90°
• Cell volume: 2205.9 ± 0.2 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 186 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No