Information card for entry 2232143

Structure parameters

• Chemical name: Bis(nitrato-κ<i>O</i>)bis[4,4,5,5-tetramethyl-2-(5-methyl-1<i>H</i>-imidazol- 4-yl-κ<i>N</i>^3^)-2-imidazoline-1-oxyl 3-oxide-κ<i>O</i>]nickel(II)
• Formula: C22 H34 N10 Ni O10
• Calculated formula: C22 H34 N10 Ni O10
• SMILES: c1([nH]c[n]2[Ni]3([n]4c(C5[N](C(C(C)(C)N=5=O)(C)C)=[O]3)c([nH]c4)C)([O]=[N]3C(c12)=N(C(C3(C)C)(C)C)=O)(ON(=O)=O)ON(=O)=O)C
• Title of publication: Bis(nitrato-κ<i>O</i>)bis[4,4,5,5-tetramethyl-2-(5-methyl-1<i>H</i>-imidazol-4-yl-κ<i>N</i>^3^)-2-imidazoline-1-oxyl 3-oxide-κ<i>O</i>]nickel(II)
• Authors of publication: Chang, Jiu Li; Gao, Zhi Yong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1506
• a: 7.8313 ± 0.0005 Å
• b: 10.7772 ± 0.0008 Å
• c: 17.3009 ± 0.0012 Å
• α: 90°
• β: 101.464 ± 0.001°
• γ: 90°
• Cell volume: 1431.06 ± 0.17 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0338
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes