Information card for entry 2227999

Structure parameters

• Chemical name: Diazidobis[4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-2-imidazoline-1-oxyl 3-oxide-κ^2^<i>N</i>^1^,<i>O</i>^3^]nickel(II)
• Formula: C20 H28 N12 Ni O4 S2
• Calculated formula: C20 H28 N12 Ni O4 S2
• SMILES: c1c[n]2c(C3=N(=O)C(C(C)(C)[N]3=[O][Ni]32([n]2ccsc2C2[N](C(C(C)(N=2=O)C)(C)C)=[O]3)(N=N#N)N=N#N)(C)C)s1
• Title of publication: Diazidobis[4,4,5,5-tetramethyl-2-(1,3-thiazol-2-yl)-2-imidazoline-1-oxyl 3-oxide-κ^2^<i>N</i>^1^,<i>O</i>^3^]nickel(II)
• Authors of publication: Chang, Jiu Li; Gao, Zhi Yong; Zhao, Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1481
• a: 9.9212 ± 0.0007 Å
• b: 12.1732 ± 0.0008 Å
• c: 11.1795 ± 0.0008 Å
• α: 90°
• β: 102.695 ± 0.001°
• γ: 90°
• Cell volume: 1317.17 ± 0.16 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes