Information card for entry 2235658

Structure parameters

• Chemical name: Bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-2-methyl-1<i>H</i>-imidazole- κ<i>N</i>^3^}dichloridocobalt(II)
• Formula: C22 H22 Cl2 Co N10
• Calculated formula: C22 H22 Cl2 Co N10
• SMILES: [Co](Cl)(Cl)([n]1ccn(Cn2c3c(nn2)cccc3)c1C)[n]1c(n(cc1)Cn1nnc2c1cccc2)C
• Title of publication: Bis{1-[(1<i>H</i>-benzotriazol-1-yl)methyl]-2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^}dichloridocobalt(II)
• Authors of publication: Yang, Haiyan; Li, Yinghua; Zhao, Yaomin; Li, Wenzhuo; He, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m948
• a: 8.1684 ± 0.0016 Å
• b: 12.691 ± 0.003 Å
• c: 13.289 ± 0.003 Å
• α: 65.48 ± 0.03°
• β: 79.66 ± 0.03°
• γ: 84.3 ± 0.03°
• Cell volume: 1232.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes