Information card for entry 7026037

Structure parameters

• Formula: C93 H92 Li4 N4 P4
• Calculated formula: C93 H92 Li4 N4 P4
• SMILES: [C]1234P(c5ccccc5)(c5ccccc5)=[N](c5c(cc(cc5C)C)C)[Li]52[C]267=P(c8ccccc8)(c8ccccc8)[N](c8c(cc(cc8C)C)C)([Li]37)[Li]4[N](P=1(c1ccccc1)c1ccccc1)(c1c(cc(cc1C)C)C)[Li]6[N]5(=P2(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C.c1(ccccc1)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: 13.512 ± 0.002 Å
• b: 20.928 ± 0.003 Å
• c: 27.872 ± 0.004 Å
• α: 90°
• β: 102.544 ± 0.003°
• γ: 90°
• Cell volume: 7693.5 ± 1.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1566
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1476
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No