Information card for entry 7130996

Structure parameters

• Formula: C47 H68 Cl Np2 O2 P5
• Calculated formula: C47 H68 Cl Np2 O2 P5
• SMILES: [Np]123456789([Cl][Np]%10%11%12%13%14%15%16%17([p]%18[c]%10([c]%11([c]%12([c]%13%18C)C)C)C)([p]%10[c]%17([c]%16([c]%15([c]%14%10C)C)C)C)[O]=P%10(O1)C(=C(C(=C%10C)C)C)C)([p]1[c]2([c]3([c]4([c]51C)C)C)C)[p]1[c]6([c]7([c]8([c]91C)C)C)C.Cc1ccccc1
• Title of publication: Isostructural σ-hydrocarbyl phospholide complexes of uranium, neptunium, and plutonium
• Authors of publication: Černá, Michaela; Seed, John A.; Garrido Fernandez, Sara; Janicke, Michael T.; Scott, Brian L.; Whitehead, George F. S.; Gaunt, Andrew J.; Goodwin, Conrad A. P.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 11.1814 ± 0.0003 Å
• b: 13.0223 ± 0.0004 Å
• c: 17.8428 ± 0.0004 Å
• α: 76.498 ± 0.003°
• β: 81.654 ± 0.002°
• γ: 85.265 ± 0.003°
• Cell volume: 2496.29 ± 0.12 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.0462
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No