Information card for entry 2236485

Structure parameters

• Chemical name: Bis[4,4,5,5-tetramethyl-2-(pyridin-2-yl-κ^2^<i>N</i>)imidazoline-1-oxyl 3-oxide-κ<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)
• Formula: C24 H32 N9 O13 Tb
• Calculated formula: C24 H32 N9 O13 Tb
• SMILES: [Tb]12345([n]6c(C7[N](C(C(C)(C)N=7=[O]1)(C)C)=O)cccc6)([n]1c(C6[N](C(C(C)(C)N=6=[O]5)(C)C)=O)cccc1)([O]=N(=O)O2)([O]=N(=O)O3)[O]=N(=O)O4
• Title of publication: Bis[4,4,5,5-tetramethyl-2-(pyridin-2-yl-κ^2^<i>N</i>)imidazoline-1-oxyl 3-oxide-κ<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)
• Authors of publication: Li, Dong-jiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1341
• a: 12.292 ± 0.003 Å
• b: 11.114 ± 0.002 Å
• c: 23.264 ± 0.005 Å
• α: 90°
• β: 98.37 ± 0.03°
• γ: 90°
• Cell volume: 3144.3 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes