Information card for entry 2204326

Structure parameters

• Chemical name: (2,2'-bipyridyl)-diaqua-tris(nitrato-O,O')-praseodymium(III) bipyridyl 1.5 solvate
• Formula: C50 H48 N16 O22 Pr2
• Calculated formula: C50 H48 N16 O22 Pr2
• SMILES: c1cccc2c3cccc[n]3[Pr]345([n]12)([OH2])([OH2])([O]=N(=O)O3)(ON(=[O]4)=O)[O]=N(=O)O5.n1ccccc1c1ncccc1.n1ccccc1c1ncccc1.c1cccc2c3cccc[n]3[Pr]345([n]12)([OH2])([OH2])([O]=N(=O)O3)([O]=N(=O)O4)ON(=[O]5)=O.n1ccccc1c1ncccc1
• Title of publication: Diaqua(2,2'-bipyridyl)tris(nitrato-κ^2^<i>O,O</i>')praseodymium(III) 2,2'-bipyridyl sesquisolvate
• Authors of publication: Charushnikova, Iraida A.; Den Auwer, Christophe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1420 - m1421
• a: 10.416 ± 0.0005 Å
• b: 11.4284 ± 0.0006 Å
• c: 14.0585 ± 0.001 Å
• α: 75.322 ± 0.004°
• β: 81.118 ± 0.004°
• γ: 64.06 ± 0.004°
• Cell volume: 1453.96 ± 0.16 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes