Information card for entry 7127106

Structure parameters

• Common name: 2-(dipp)2(Detp)
• Chemical name: [MesPDIMe]U(N-dipp)2(N-detp)
• Formula: C65 H86 N6 O U
• Calculated formula: C65 H86 N6 O U
• SMILES: [U]12([n]3c(cccc3C(=[N]1c1c(cc(cc1C)C)C)C)C(=[N]2c1c(cc(cc1C)C)C)C)(=Nc1c(cccc1CC)CC)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)C(C)C.O1CCCC1
• Title of publication: Insight into geometric preferences in uranium(VI) mixed tris(imido) systems.
• Authors of publication: Raghavan, Adharsh; Anderson, Nickolas H.; Tatebe, Caleb J.; Stanley, Dalton A.; Zeller, Matthias; Bart, Suzanne C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 75
• Pages of publication: 11138 - 11141
• a: 11.3843 ± 0.0004 Å
• b: 23.5278 ± 0.0009 Å
• c: 22.0095 ± 0.0008 Å
• α: 90°
• β: 100.311 ± 0.0012°
• γ: 90°
• Cell volume: 5800 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0307
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No