Information card for entry 2207484

Structure parameters

• Chemical name: Aquatris(nitrato-κ^2^O,O')(2,2':6,2''-terpyridine)praseodymium(III) acetone solvate
• Formula: C18 H19 N6 O11 Pr
• Calculated formula: C18 H19 N6 O11 Pr
• SMILES: [Pr]12345([n]6ccccc6c6[n]1c(ccc6)c1[n]2cccc1)(ON(=[O]3)=O)(ON(=[O]4)=O)([O]=N(O5)=O)[OH2].O=C(C)C
• Title of publication: Aquatris(nitrato-κ^2^<i>O</i>,<i>O</i>')(2,2':6,2''-terpyridine)praseodymium(III) acetone solvate
• Authors of publication: Charushnikova, Iraida A.; Den Auwer, Christophe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2514 - m2516
• a: 9.7282 ± 0.0006 Å
• b: 15.7656 ± 0.001 Å
• c: 15.1477 ± 0.001 Å
• α: 90°
• β: 98.183 ± 0.006°
• γ: 90°
• Cell volume: 2299.6 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0807
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes