Information card for entry 1570352

Structure parameters

• Formula: C33 H48 Br Ga N8 Ni O7
• Calculated formula: C33 H48 Br Ga N8 Ni O7
• Title of publication: Improving the potential of paraCEST through magnetic-coupling induced line sharpening.
• Authors of publication: Guo, Xin; Zhang, Lei; Hu, Jiesheng; Szilágyi, Balázs; Yu, Meng; Chen, Shizhen; Tircsó, Gyula; Zhou, Xin; Tao, Jun
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 48
• Pages of publication: 14157 - 14165
• a: 29.4737 ± 0.0012 Å
• b: 14.7532 ± 0.0005 Å
• c: 20.5922 ± 0.0008 Å
• α: 90°
• β: 103.741 ± 0.004°
• γ: 90°
• Cell volume: 8697.9 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No