Information card for entry 7058382

Structure parameters

• Chemical name: c1-BTP
• Formula: C15 H27 N7 O6
• Calculated formula: C15 H27 N7 O6
• 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: 15.3819 ± 0.0015 Å
• b: 6.8739 ± 0.0005 Å
• c: 20.223 ± 0.0018 Å
• α: 90°
• β: 103.817 ± 0.009°
• γ: 90°
• Cell volume: 2076.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No