Information card for entry 7020021

Structure parameters

• Formula: C98 H114 K4 N10 Np4 O28
• Calculated formula: C98 H114 K4 N10 Np4 O28
• SMILES: c12ccccc1C=[N]1CCN=Cc3ccccc3[O]3[Np]41(=O)(O[Np]15([N](=Cc6c([O]17)cccc6)CCN=Cc1ccccc1[O]51)(=O)O[Np]56([N](=Cc8c(cccc8)[O]68)CCN=Cc6ccccc6[O]56)(=O)O[Np]59(O4)([N](=Cc4c([O]5[K]378)cccc4)CCN=Cc3ccccc3[O]39)=O)[O]2[K]136.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[n]1ccccc1.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[n]1ccccc1
• Title of publication: A tetrameric neptunyl(v) cluster supported by a Schiff base ligand.
• Authors of publication: Copping, Roy; Mougel, Victor; Den Auwer, Christophe; Berthon, Claude; Moisy, Philippe; Mazzanti, Marinella
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 10900 - 10902
• a: 13.036 ± 0.006 Å
• b: 15.566 ± 0.006 Å
• c: 26.445 ± 0.011 Å
• α: 90°
• β: 91.082 ± 0.005°
• γ: 90°
• Cell volume: 5365 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No