Information card for entry 7058381

Structure parameters

• Chemical name: subt-BTP
• Formula: C27 H41 N7 O
• Calculated formula: C27 H41 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: 13.5131 ± 0.0006 Å
• b: 16.9916 ± 0.0005 Å
• c: 26.0514 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5981.6 ± 0.4 ų
• Cell temperature: 172 K
• Ambient diffraction temperature: 172 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0952
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No