Information card for entry 7129459

Structure parameters

• Formula: C21 H36 F9 N2 O15 S3 U
• Calculated formula: C21 H36 F9 N2 O15 S3 U
• Title of publication: 2.2.2-Cryptand complexes of neptunium(iii) and plutonium(iii)
• Authors of publication: Goodwin, Conrad A. P.; Ciccone, Sierra R.; Bekoe, Samuel; Majumdar, Sourav; Scott, Brian L.; Ziller, Joseph W.; Gaunt, Andrew J.; Furche, Filipp; Evans, William J.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.8696 ± 0.0018 Å
• b: 19.298 ± 0.0019 Å
• c: 19.609 ± 0.002 Å
• α: 64.1427 ± 0.0014°
• β: 64.881 ± 0.0014°
• γ: 62.8442 ± 0.0014°
• Cell volume: 5195.3 ± 0.9 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No