Information card for entry 7245819

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: 10.0371 ± 0.0003 Å
• b: 11.144 ± 0.0003 Å
• c: 14.0248 ± 0.0008 Å
• α: 109.464 ± 0.003°
• β: 94.951 ± 0.003°
• γ: 96.101 ± 0.001°
• Cell volume: 1458.25 ± 0.11 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Ambient diffracton pressure: 2500000 kPa
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No