Information card for entry 2212315

Structure parameters

• Chemical name: bis(μ-2-fluorobenzoato-κ^2^O:O')di-μ-oxo-bis[(2,2'-bipyridine- κ^2^N,N')oxoneptunium(V)]
• Formula: C34 H24 F2 N4 Np2 O8
• Calculated formula: C34 H24 F2 N4 Np2 O8
• SMILES: Fc1c(cccc1)C1=[O][Np]234([n]5c(c6cccc[n]26)cccc5)=[O][Np]2(O1)(=[O]4)(=O)([O]=C(O3)c1c(F)cccc1)(=O)[n]1ccccc1c1cccc[n]12
• Title of publication: Dimeric dioxocations, (NpO~2~^+^)~2~, in the structure of bis(μ-2-fluorobenzoato-κ^2^<i>O</i>:<i>O</i>')di-μ-oxo-bis[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')oxoneptunium(V)]
• Authors of publication: Grigoriev, Mikhail S.; Krot, Nikolai N.; Bessonov, Alexei A.; Suponitsky, Kyrill Yu.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m561 - m562
• a: 9.3373 ± 0.0005 Å
• b: 10.1342 ± 0.0006 Å
• c: 17.507 ± 0.001 Å
• α: 90°
• β: 97.6551 ± 0.0011°
• γ: 90°
• Cell volume: 1641.85 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes