Information card for entry 4514311

Structure parameters

• Formula: C18 H16 Mn2 N2 O15
• Calculated formula: C18 H16 Mn2 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: 7.591 ± 0.0005 Å
• b: 17.6666 ± 0.0012 Å
• c: 15.5193 ± 0.0011 Å
• α: 90°
• β: 98.904 ± 0.002°
• γ: 90°
• Cell volume: 2056.2 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No