Information card for entry 1557110

Structure parameters

• Chemical name: UImNHC
• Formula: C73 H92 N5 O2 U
• Calculated formula: C73 H92 N5 O2 U
• SMILES: [U]1234567(N(c8c(C(C)C)cccc8C(C)C)c8ccccc8[c]82[cH]3[cH]4[c]5([cH]6[cH]78)c2ccccc2N1c1c(C(C)C)cccc1C(C)C)N=C1N(C=CN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C.O(C)CCOC
• Title of publication: Intra- and intermolecular interception of a photochemically generated terminal uranium nitride
• Authors of publication: Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 2381 - 2387
• a: 13.2857 ± 0.0009 Å
• b: 13.9411 ± 0.0008 Å
• c: 20.5686 ± 0.0015 Å
• α: 103.573 ± 0.002°
• β: 95.666 ± 0.003°
• γ: 116.252 ± 0.002°
• Cell volume: 3230.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.98 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No