Information card for entry 7058383

Structure parameters

• Chemical name: ipr-BTP
• Formula: C23 H33 N7 O
• Calculated formula: C23 H33 N7 O
• Title of publication: Unusual complexation behaviors of R-BTPs with water molecule and Pd(ii) caused by electronic modulation of substituents on BTP backbone: new insights into palladium separation under the framework of minor actinides’ partitioning
• Authors of publication: Xu, Lei; Zhang, Anyun; Pu, Ning; Lu, Yanchao; Yang, Hua; Liu, Ziyang; Ji, Yanqin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 9052
• a: 16.0776 ± 0.0013 Å
• b: 8.4467 ± 0.0005 Å
• c: 17.6595 ± 0.0015 Å
• α: 90°
• β: 100.91 ± 0.007°
• γ: 90°
• Cell volume: 2354.9 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0914
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No