Information card for entry 2104707

Structure parameters

• Formula: C10 H40 Al N3 O24
• Calculated formula: C10 H40 Al N3 O24
• SMILES: C1COCCOCCOCCOCCO1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].[Al]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].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: 9.8642 ± 0.0001 Å
• b: 11.7922 ± 0.0001 Å
• c: 12.8064 ± 0.0002 Å
• α: 99.1087 ± 0.0005°
• β: 112.27 ± 0.0005°
• γ: 92.3805 ± 0.0005°
• Cell volume: 1352.72 ± 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: 0.09
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes