Information card for entry 7245822

Structure parameters

• Formula: C24 H34 N3 O11 Tb
• Calculated formula: C24 H34 N3 O11 Tb
• Title of publication: A reversible pressure-induced bond rearrangement of flexible lanthanide 2,5-bis(allyloxy)terephthalate coordination polymer networks
• Authors of publication: Hunter, L. R.; Sellars, J. D.; Probert, M. R.
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 10.3607 ± 0.0008 Å
• b: 10.4017 ± 0.0008 Å
• c: 13.8104 ± 0.001 Å
• α: 81.551 ± 0.003°
• β: 71.01 ± 0.004°
• γ: 89.16 ± 0.003°
• Cell volume: 1391.18 ± 0.19 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0728
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No