Information card for entry 7026038

Structure parameters

• Formula: C114 H116 N4 P4 U
• Calculated formula: C86 H84 N4 P4 U
• SMILES: [U]1234(C(=P(c5ccccc5)(c5ccccc5)N1c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]2c1c(cc(cc1C)C)C)C(=P(c1ccccc1)(c1ccccc1)N3c1c(cc(cc1C)C)C)P(c1ccccc1)(c1ccccc1)=[N]4c1c(cc(cc1C)C)C
• Title of publication: Synthesis and structure of [U{C(PPh2NMes)2}2] (Mes = 2,4,6-Me3C6H2): A homoleptic uranium bis(carbene) complex with two formal UC double bonds
• Authors of publication: Cooper, Oliver J.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Liddle, Stephen T.
• Journal of publication: Dalton Transactions
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 21
• Pages of publication: 5074
• a: 14.839 ± 0.002 Å
• b: 15.329 ± 0.002 Å
• c: 21.677 ± 0.003 Å
• α: 70.551 ± 0.002°
• β: 75.047 ± 0.003°
• γ: 77.427 ± 0.003°
• Cell volume: 4444.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0881
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No