Information card for entry 4514312

Structure parameters

• Formula: C9 H17 Gd N2 O15
• Calculated formula: C9 H17 Gd N2 O15
• Title of publication: Zwitterionic Manganese and Gadolinium Metal-Organic Frameworks as Efficient Contrast Agents for in Vivo Magnetic Resonance Imaging.
• Authors of publication: Qin, Liang; Sun, Zi-Yan; Cheng, Kai; Liu, Shu-Wen; Pang, Jian-Xin; Xia, Li-Ming; Chen, Wen-Hua; Cheng, Zhen; Chen, Jin-Xiang
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 47
• Pages of publication: 41378 - 41386
• a: 10.1468 ± 0.0006 Å
• b: 15.5239 ± 0.0009 Å
• c: 10.5159 ± 0.0006 Å
• α: 90°
• β: 102.202 ± 0.001°
• γ: 90°
• Cell volume: 1619.02 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No