Information card for entry 7708270

Structure parameters

• Formula: C72 H72 Er4 N8 O34 S24
• Calculated formula: C72 H72 Er4 N8 O34 S24
• Title of publication: Family of Lanthanide Metal-Organic Frameworks Based on Redox-Active Tetrathiafulvalene-Dicarboxylic Ligand Showing Slow Relaxation of Magnetisation and Electronic Conductivity
• Authors of publication: Hu, Jun-Jie; Li, Yu-Guang; Wen, He-Rui; Liu, Sui-Jun; Peng, Yan; Liu, Cai-Ming
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 17.6348 ± 0.0005 Å
• b: 23.0268 ± 0.0005 Å
• c: 26.0963 ± 0.0006 Å
• α: 90°
• β: 103.314 ± 0.002°
• γ: 90°
• Cell volume: 10312.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No