Information card for entry 7013695

Structure parameters

• Formula: C42 H54 Er N13 O27
• Calculated formula: C42 H54 Er N13 O27
• Title of publication: Design and coordination behavior of the first selective recognition ligand of 147Pm(III).
• Authors of publication: Liu, Weisheng; Li, Xiaofeng; Wen, Yonghong; Tan, Minyu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 4
• Pages of publication: 640 - 644
• a: 12.337 ± 0.002 Å
• b: 11.27 ± 0.002 Å
• c: 38.712 ± 0.006 Å
• α: 90°
• β: 94.15 ± 0.01°
• γ: 90°
• Cell volume: 5368.3 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No