Information card for entry 4337545

Structure parameters

• Formula: C30 H30 Cl10 N6 Pu
• Calculated formula: C30 H30 Cl10 N6 Pu
• SMILES: c1[nH+]ccc(c1)c1cc[nH+]cc1.[nH+]1ccc(cc1)c1cc[nH+]cc1.Cl[Pu](Cl)(Cl)(Cl)([Cl-])[Cl-].[Cl-].[Cl-].c1cc(cc[nH+]1)c1cc[nH+]cc1.[Cl-].[Cl-]
• 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: 7.3488 ± 0.0008 Å
• b: 10.9808 ± 0.0012 Å
• c: 12.0278 ± 0.0014 Å
• α: 83.524 ± 0.002°
• β: 73.93 ± 0.002°
• γ: 88.64 ± 0.002°
• Cell volume: 926.69 ± 0.18 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: 0.0322
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No