Information card for entry 7020246

Structure parameters

• Formula: C84 H76 K2 Li2 N12 Np4 O16
• Calculated formula: C84 H76 K2 Li2 N12 Np4 O16
• SMILES: c12[O]([K]345)[Np]67([N](CC/N=C/c2cccc1)=Cc1c([O]7[K]278)cccc1)(O[Np]19%10([N](CC[N]%10=Cc%10ccccc%10[O]93)=Cc3c(cccc3)[O]12)(=O)O[Np]12([N](CC/N=C/c3c([O]27)cccc3)=Cc2c([O]14)cccc2)(O[Np]123([N](CC[N]3=Cc3ccccc3[O]25)=Cc2c(cccc2)[O]18)(=O)O6)=[O][Li]([n]1ccccc1)[n]1ccccc1)=[O][Li]([n]1ccccc1)[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: 16.766 ± 0.01 Å
• b: 14.812 ± 0.009 Å
• c: 23.241 ± 0.014 Å
• α: 90°
• β: 96.68 ± 0.006°
• γ: 90°
• Cell volume: 5732 ± 6 ų
• Cell temperature: 205 ± 2 K
• Ambient diffraction temperature: 205 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2208
• Residual factor for significantly intense reflections: 0.1446
• Weighted residual factors for significantly intense reflections: 0.3153
• Weighted residual factors for all reflections included in the refinement: 0.3537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No