Information card for entry 4132429

Structure parameters

• Formula: C51 H99 K N2 Np O6 Si6
• Calculated formula: C51 H99 K N2 Np O6 Si6
• SMILES: [Np]123456789%10%11%12([c]%13([cH]1[c]2([Si](C)(C)C)[cH]3[cH]4%13)[Si](C)(C)C)([c]1([Si](C)(C)C)[cH]5[c]6([Si](C)(C)C)[cH]7[cH]81)[c]1([cH]9[c]%10([Si](C)(C)C)[cH]%11[cH]%121)[Si](C)(C)C.[K]1234567[O]8CC[N]96CC[O]2CC[O]3CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
• Title of publication: Identification of the Formal +2 Oxidation State of Neptunium: Synthesis and Structural Characterization of {Np^II[C₅H₃(SiMe₃)₂]₃}¹.
• Authors of publication: Su, Jing; Windorff, Cory J.; Batista, Enrique R.; Evans, William J.; Gaunt, Andrew J.; Janicke, Michael T.; Kozimor, Stosh A.; Scott, Brian L.; Woen, David H.; Yang, Ping
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 24
• Pages of publication: 7425 - 7428
• a: 12.1932 ± 0.0009 Å
• b: 12.7204 ± 0.0009 Å
• c: 22.2152 ± 0.0016 Å
• α: 100.886 ± 0.0013°
• β: 104.395 ± 0.0014°
• γ: 95.5327 ± 0.0014°
• Cell volume: 3240 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No