Information card for entry 2234684

Structure parameters

• Chemical name: Tris(nitrato-κ^2^<i>O</i>,<i>O</i>')bis[4,4,5,5-tetramethyl-2-(pyridin- 2-yl-κ<i>N</i>)imidazoline-1-oxyl 3-oxide-κ<i>O</i>]holmium(III)
• Formula: C24 H32 Ho N9 O13
• Calculated formula: C24 H32 Ho N9 O13
• SMILES: C1(C(N(=C2c3cccc[n]3[Ho]3456([n]7ccccc7C7[N](=[O]6)C(C(N=7=O)(C)C)(C)C)([O]=[N]12)([O]=N(=O)O3)(ON(=[O]4)=O)ON(=[O]5)=O)=O)(C)C)(C)C
• Title of publication: Tris(nitrato-κ^2^<i>O</i>,<i>O</i>')bis[4,4,5,5-tetramethyl-2-(pyridin-2-yl-κ<i>N</i>)imidazoline-1-oxyl 3-oxide-κ<i>O</i>]holmium(III)
• Authors of publication: Li, Dong-Jiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m550
• a: 12.2627 ± 0.001 Å
• b: 11.1044 ± 0.0008 Å
• c: 23.2861 ± 0.0017 Å
• α: 90°
• β: 98.391 ± 0.002°
• γ: 90°
• Cell volume: 3136.9 ± 0.4 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: 0.0565
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes