Information card for entry 2200059

Structure parameters

• Chemical name: Tris(nitrato)(1,4,7,10,13-pentaoxacyclopentadecane)praseodymium(III)
• Formula: C10 H20 N3 O14 Pr
• Calculated formula: C10 H20 N3 O14 Pr
• SMILES: [Pr]1234567(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]3)=O)[O]1CC[O]4CC[O]5CC[O]6CC[O]7CC1
• Title of publication: Rare earth crown ether complexes: (15-crown-5)tris(nitrato)praseodymium(III)
• Authors of publication: McIntosh, Nadine N.; Kahwa, Ishenkumba A.; Mague, Joel T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 1
• Pages of publication: m21 - m22
• a: 9.3236 ± 0.0005 Å
• b: 14.5789 ± 0.0014 Å
• c: 13.6184 ± 0.0006 Å
• α: 90°
• β: 95.361 ± 0.004°
• γ: 90°
• Cell volume: 1843 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes