Information card for entry 7245824

Structure parameters

• Formula: C24 H34 N3 O11 Pr
• Calculated formula: C24 H34 N3 O11 Pr
• 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: 10.0678 ± 0.0011 Å
• b: 11.1512 ± 0.0012 Å
• c: 14.0297 ± 0.0015 Å
• α: 109.416 ± 0.003°
• β: 95.138 ± 0.003°
• γ: 95.947 ± 0.003°
• Cell volume: 1464.6 ± 0.3 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 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: 0.042
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No