Information card for entry 4337543

Structure parameters

• Formula: C20 H26 Cl6 N6 O4 Pu
• Calculated formula: C20 H26 Cl6 N6 O4 Pu
• SMILES: c1cc(cc[nH+]1)Nc1cc[nH+]cc1.O=[Pu](Cl)(=O)(Cl)(Cl)Cl.O.[Cl-].c1cc(cc[nH+]1)Nc1cc[nH+]cc1.O.[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: 7.0418 ± 0.0013 Å
• b: 9.8282 ± 0.0018 Å
• c: 11.438 ± 0.002 Å
• α: 72.093 ± 0.003°
• β: 72.116 ± 0.004°
• γ: 77.488 ± 0.004°
• Cell volume: 710.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No