Information card for entry 2104711

Structure parameters

• Formula: C20 H50 N4 O26 Pd
• Calculated formula: C20 H50 N4 O26 Pd
• SMILES: C1COCCOCCOCCOCCO1.N(=O)(=O)O.[Pd]([OH2])([OH2])(ON(=O)=O)ON(=O)=O.O.C1COCCOCCOCCOCCO1.N(=O)(=O)O.O
• Title of publication: More examples of the 15-crown-5···H~2~O—<i>M</i>—OH~2~···15-crown-5 motif, <i>M</i> = Al^3+^, Cr^3+^ and Pd^2+^
• Authors of publication: Siegler, Maxime A.; Prewitt, Jacob H.; Kelley, Steven P.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: 213 - 221
• a: 7.0048 ± 0.0001 Å
• b: 9.8871 ± 0.0002 Å
• c: 13.844 ± 0.0003 Å
• α: 79.8454 ± 0.0009°
• β: 87.7567 ± 0.0009°
• γ: 70.4587 ± 0.0011°
• Cell volume: 889.21 ± 0.03 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 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: 0.025
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes