Information card for entry 4314945

Structure parameters

• Formula: C40 H87 Cl12 N10 Np4 O12
• Calculated formula: C40 H87 Cl12 N10 Np4 O12
• SMILES: [Np](O[Np](Cl)(Cl)(Cl)(Cl)=O)(O[Np](Cl)(Cl)(Cl)(Cl)=O)(O[Np](Cl)(Cl)(Cl)(Cl)=O)([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].n1(c[n+](cc1)CCCC)C.n1(c[n+](cc1)CCCC)C.n1(c[n+](cc1)CCCC)C.n1(c[n+](cc1)CCCC)C.n1(c[n+](cc1)CCCC)C
• Title of publication: Crystal and Electronic Structure of a Mixed-Valent Np(IV)-Np(V) Compound: [BuMeIm]5[Np(NpO2)3(H2O)6Cl12]
• Authors of publication: Iraida Charushnikova; Emilie Bossé; Dominique Guillaumont; Philippe Moisy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2077 - 2082
• a: 14.5485 ± 0.0003 Å
• b: 14.8947 ± 0.0003 Å
• c: 20.7821 ± 0.0006 Å
• α: 86.8718 ± 0.0012°
• β: 70.253 ± 0.0014°
• γ: 62.269 ± 0.0012°
• Cell volume: 3723.14 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No