Information card for entry 7127104

Structure parameters

• Common name: 2-(dipp)2(Mes)
• Chemical name: [MesPDIMe]U(N-dipp)2(N-Mes)
• Formula: C65 H88 N6 U
• Calculated formula: C65 H88 N6 U
• SMILES: [U]12([N](=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cc(cc1C)C)C.CCCCC
• 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: 23.3078 ± 0.0012 Å
• b: 14.5446 ± 0.0004 Å
• c: 17.1713 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5821.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No