Information card for entry 2220852

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>O</i>,<i>N</i>]manganese(II)
• Formula: C20 H28 Mn N12 O4 S2
• Calculated formula: C20 H28 Mn N12 O4 S2
• SMILES: c1c[n]2c(C3=N(=O)C(C(C)([N]3=[O][Mn]32([n]2ccsc2C2[N](C(C(C)(C)N=2=O)(C)C)=[O]3)(N=N#N)N=N#N)C)(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>O</i>,<i>N</i>]manganese(II)
• Authors of publication: Chang, Jiu Li; Gao, Zhi Yong; Jiang, Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: m181
• a: 9.96 ± 0.0018 Å
• b: 12.272 ± 0.002 Å
• c: 11.353 ± 0.002 Å
• α: 90°
• β: 103.714 ± 0.003°
• γ: 90°
• Cell volume: 1348.1 ± 0.4 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: 0.0448
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes