Information card for entry 7104198

Structure parameters

• Formula: C28 H56 Cl4 Np3 O13
• Calculated formula: C28 H56 Cl4 Np3 O13
• SMILES: [Np]1(Cl)(Cl)(O[Np]2(=O)([Cl][Np](=O)([Cl]2)(O1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(=O)=O.O1CCCC1
• Title of publication: Neptunium(vi) chain and neptunium(vi/v) mixed valence cluster complexes.
• Authors of publication: Cornet, Stéphanie M; Häller, L Jonas L; Sarsfield, Mark J; Collison, David; Helliwell, Madeleine; May, Iain; Kaltsoyannis, Nikolas
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 917 - 919
• a: 12.384 ± 0.003 Å
• b: 13.733 ± 0.003 Å
• c: 13.829 ± 0.003 Å
• α: 61.578 ± 0.004°
• β: 89.393 ± 0.004°
• γ: 86.284 ± 0.004°
• Cell volume: 2063.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1352
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No