Information card for entry 2208640

Structure parameters

• Chemical name: Diimidazolium Neodymium Pentakis(nitrate(V)) Hydrate
• Formula: C6 H12 N9 Nd O16
• Calculated formula: C6 H12 N9 Nd O16
• SMILES: [Nd]12345(ON(=[O]1)=O)([O]=N(O2)=O)(ON(=[O]3)=O)([O]=N(O4)=O)(ON(=[O]5)=O)[OH2].[nH]1c[nH+]cc1.[nH]1c[nH+]cc1
• Title of publication: Diimidazolium aquapentakis(nitrato)neodymate(III)
• Authors of publication: Zhang, Hui; Wu, Yanmei; Fang, Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m854 - m856
• a: 7.3817 ± 0.0015 Å
• b: 7.8831 ± 0.0016 Å
• c: 18.073 ± 0.004 Å
• α: 89.37 ± 0.03°
• β: 89.49 ± 0.03°
• γ: 63.12 ± 0.03°
• Cell volume: 938 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0173
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes