Information card for entry 2243538

Structure parameters

• Chemical name: Bis(pyridinium) diaquadipyridinehexakis[μ~3~-salicylhydroximato(3-)]bis[μ~2~-salicylhydroximato(1-)]hexaaluminiumgadolinium‒pyridine‒water (1/7.396/1)
• Formula: C119.25 H104.26 Al6 Gd N20.25 O30
• Calculated formula: C119.255 H104.255 Al6 Gd N20.251 O30
• Title of publication: Crystal structures of three anionic lanthanide‒aluminium [3.3.1] metallacryptate complexes
• Authors of publication: Rheam, Rachel E.; Zeller, Matthias; Zaleski, Curtis M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 9
• Pages of publication: 1458 - 1466
• a: 13.7267 ± 0.001 Å
• b: 16.0458 ± 0.0011 Å
• c: 28.2591 ± 0.0018 Å
• α: 80.675 ± 0.002°
• β: 84.459 ± 0.002°
• γ: 71.757 ± 0.002°
• Cell volume: 5826.3 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0766
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes