Information card for entry 7049628

Structure parameters

• Formula: C28 H26 Ba4 N4 O23
• Calculated formula: C28 H26 Ba4 N4 O23
• 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: 12.9214 ± 0.0015 Å
• b: 10.4575 ± 0.0012 Å
• c: 14.1666 ± 0.0016 Å
• α: 90°
• β: 93.894 ± 0.002°
• γ: 90°
• Cell volume: 1909.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No