Information card for entry 7245820

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: 9.8824 ± 0.0004 Å
• b: 10.0039 ± 0.0004 Å
• c: 13.3049 ± 0.0009 Å
• α: 98.203 ± 0.004°
• β: 111.376 ± 0.004°
• γ: 91.257 ± 0.002°
• Cell volume: 1208.43 ± 0.11 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Ambient diffracton pressure: 3500000 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: 0.0244
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No