Information card for entry 4307531

Structure parameters

• Formula: C38 H72 Cl6 N2 O2 P2 U
• Calculated formula: C38 H72 Cl6 N2 O2 P2 U
• SMILES: [U](=O)([NH]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)([NH]=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1)(=O)(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: A Structural and Theoretical Investigation of Equatorial cis and trans Uranyl Phosphinimine and Uranyl Phosphine Oxide Complexes UO2Cl2(Cy3PNH)2 and UO2Cl2(Cy3PO)2
• Authors of publication: L. Jonas L Häller; Nikolas Kaltsoyannis; Mark J. Sarsfield; Iain May; Stéphanie M. Cornet; Michael P. Redmond; Madeleine Helliwell
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4868 - 4875
• a: 11.575 ± 0.002 Å
• b: 12.113 ± 0.002 Å
• c: 16.6 ± 0.003 Å
• α: 90°
• β: 90.736 ± 0.003°
• γ: 90°
• Cell volume: 2327.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No