Information card for entry 2217419

Structure parameters

• Chemical name: Tris(piperazinediium) bis[tris(pyridine-2,6-dicarboxylato)neodymiumate(III)] 15.33-hydrate
• Formula: C27 H42.33 N6 Nd O20
• Calculated formula: C27 H42 N6 Nd O20
• Title of publication: Tris(piperazinediium) bis[tris(pyridine-2,6-dicarboxylato)neodymate(III)] 15.33-hydrate
• Authors of publication: Derikvand, Zohreh; Aghabozorg, Hossein; Nemati, Andya; Ghadermazi, Mohammad; Attar Gharamaleki, Jafar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m350 - m351
• a: 25.5045 ± 0.0009 Å
• b: 25.5045 ± 0.0009 Å
• c: 10.0984 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5688.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes