Information card for entry 4337544

Structure parameters

• Formula: C20 H20 Cl10 N4 O2 Pu2
• Calculated formula: C20 H20 Cl10 N4 O2 Pu2
• SMILES: c1(cccc[nH+]1)c1cc[nH+]cc1.Cl[Pu](Cl)(Cl)(Cl)([Cl-])[Cl-].[Pu](=O)(=O)(Cl)(Cl)(Cl)Cl.c1(cccc[nH+]1)c1cc[nH+]cc1
• Title of publication: Supramolecular interactions in PuO2Cl4(2-) and PuCl6(2-) complexes with protonated pyridines: synthesis, crystal structures, and Raman spectroscopy.
• Authors of publication: Wilson, Richard E.; Schnaars, David D.; Andrews, Michael B.; Cahill, C. L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 383 - 392
• a: 7.4284 ± 0.0011 Å
• b: 16.051 ± 0.002 Å
• c: 14.1729 ± 0.0017 Å
• α: 90°
• β: 113.294 ± 0.006°
• γ: 90°
• Cell volume: 1552.1 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No