Information card for entry 2225850

Structure parameters

• Chemical name: Tris[2-(1<i>H</i>-imidazol-2-yl)imidazol-1-ido]cobalt(III)
• Formula: C18 H15 Co N12
• Calculated formula: C18 H15 Co N12
• SMILES: [Co]123(n4ccnc4c4[n]1cc[nH]4)(n1c(c4[n]2cc[nH]4)ncc1)n1c(c2[n]3cc[nH]2)ncc1
• Title of publication: Tris[2-(1<i>H</i>-imidazol-2-yl)imidazol-1-ido]cobalt(III)
• Authors of publication: Ma, Qi; Zhu, Miaoli; Feng, Sisi; Lu, Liping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: m500
• a: 12.299 ± 0.003 Å
• b: 12.524 ± 0.003 Å
• c: 12.932 ± 0.003 Å
• α: 90°
• β: 97.773 ± 0.004°
• γ: 90°
• Cell volume: 1973.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0749
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes