Information card for entry 2204679

Structure parameters

• Chemical name: 2,2'-Bipyridyl-2-ium aqua(2,2'-bipyridyl-κ^2^N,N')tetakis(nitrato-κ^2^O,O')praseodymium(III) 2,2'-bipyridyl solvate
• Formula: C50 H46 N18 O26 Pr2
• Calculated formula: C50 H46 N18 O26 Pr2
• SMILES: c1cccc2c3cccc[n]3[Pr]3456([n]12)([OH2])([O]=N(=O)O3)(ON(=[O]4)=O)([O]=N(=O)O5)ON(=[O]6)=O.n1ccccc1c1[nH+]cccc1.n1ccccc1c1ncccc1.c1cccc2c3cccc[n]3[Pr]3456([n]12)([OH2])([O]=N(=O)O3)(ON(=[O]4)=O)([O]=N(=O)O5)ON(=[O]6)=O.n1ccccc1c1[nH+]cccc1
• Title of publication: 2,2'-Bipyridyl-2-ium aqua(2,2'-bipyridyl-κ^2^<i>N,N</i>')tetakis(nitrato-κ^2^<i>O,O</i>')praseodymium(III) 2,2'-bipyridyl hemisolvate
• 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: 12
• Pages of publication: m1775 - m1777
• a: 17.7935 ± 0.0004 Å
• b: 10.2712 ± 0.0003 Å
• c: 32.8924 ± 0.0008 Å
• α: 90°
• β: 100.002 ± 0.0011°
• γ: 90°
• Cell volume: 5920.1 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes