Information card for entry 2202195

Structure parameters

• Chemical name: (aqua)bis(dimethylglyoxime)cobalt(III) azide hydrate
• Formula: C8 H18 Co N7 O6
• Calculated formula: C8 H18 Co N7 O6
• SMILES: [Co]12([OH2])(N(O)C(=C(N1O)C)C)([N](=O)C(=C([N]2=O)C)C)N=N#N.O
• Title of publication: Aqua(azido)(dimethylglyoximato)(dimethylglyoxime)cobalt(III) monohydrate
• Authors of publication: Dong, Zhi-Yong; Liu, Xuan-Wen; Wang, Xiao-Qing; Wang, Ru-Ji; Shen, Guang-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m260 - m262
• a: 7.6739 ± 0.0018 Å
• b: 17.515 ± 0.004 Å
• c: 11.261 ± 0.002 Å
• α: 90°
• β: 91.243 ± 0.014°
• γ: 90°
• Cell volume: 1513.2 ± 0.6 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: 0.0654
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes