Information card for entry 4346454

Structure parameters

• Formula: C44 H73 I2 N5 O2 U
• Calculated formula: C44 H73 I2 N5 O2 U
• SMILES: [U]12345(I)Oc6c(C[N]72CC[N]3(CCC[N]4(CC[N]5(CCC7)C)Cc2cc(cc(c2O1)C(C)(C)C)C(C)(C)C)C)cc(cc6C(C)(C)C)C(C)(C)C.[I-].N#CC
• Title of publication: Uranium(III) redox chemistry assisted by a hemilabile bis(phenolate) cyclam ligand: uranium-nitrogen multiple bond formation comprising a trans-{RN═U(VI)═NR}(2+) complex.
• Authors of publication: Maria, Leonor; Santos, Isabel C.; Sousa, Vânia R; Marçalo, Joaquim
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 9115 - 9126
• a: 12.8034 ± 0.0004 Å
• b: 12.8473 ± 0.0003 Å
• c: 16.0756 ± 0.0004 Å
• α: 95.0382 ± 0.0007°
• β: 98.0529 ± 0.0007°
• γ: 111.837 ± 0.0008°
• Cell volume: 2401.99 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0276
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No