Information card for entry 7122281

Structure parameters

• Formula: C78 H112 Np O6 Se2
• Calculated formula: C78 H112 Np O6 Se2
• Title of publication: Structure and properties of [(4,6-^tBu₂C₆H₂O)₂Se]₂An(THF)₂, An = U, Np, and their reaction with p-benzoquinone.
• Authors of publication: Myers, Alexander J.; Rungthanaphatsophon, Pokpong; Behrle, Andrew C.; Vilanova, Sean P.; Kelley, Stephen P.; Lukens, Wayne W.; Walensky, Justin R.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 74
• Pages of publication: 10435 - 10438
• a: 17.578 ± 0.0012 Å
• b: 20.5093 ± 0.0015 Å
• c: 21.1111 ± 0.0015 Å
• α: 90°
• β: 104.991 ± 0.001°
• γ: 90°
• Cell volume: 7351.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No