Information card for entry 7049626

Structure parameters

• Formula: C28 H24 Cd3 Cl2 N4 O20
• Calculated formula: C28 H24 Cd3 Cl2 N4 O20
• Title of publication: Five new 3D transition MOFs based on 1-(3,5-dicarboxylatobenzyl)-3,5-pyrazole dicarboxylic acid displaying the unique luminescent sensing towards Fe3+ and magnetic properties
• Authors of publication: Tong, Wen Quan; Liu, WeiNi; Ma, Lu-Lu; Wang, Yao; Wang, Jiao-Min; Wang, Yao-Yu; Hou, Lei
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 10.88 ± 0.009 Å
• b: 12.209 ± 0.009 Å
• c: 14.708 ± 0.012 Å
• α: 90°
• β: 107.306 ± 0.011°
• γ: 90°
• Cell volume: 1865 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No