Information card for entry 2235908

Structure parameters

• Chemical name: Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato- κ^2^<i>N</i>,<i>O</i>]cobalt(III)
• Formula: C27 H24 Cl6 Co N3 O3
• Calculated formula: C27 H24 Cl6 Co N3 O3
• SMILES: c12c(cc(cc1C=[N](CC)[Co]13([N](=Cc4c(c(cc(c4)Cl)Cl)O1)CC)([N](=Cc1c(c(cc(c1)Cl)Cl)O3)CC)O2)Cl)Cl
• Title of publication: Tris[2,4-dichloro-6-(ethyliminomethyl)phenolato-κ^2^<i>N</i>,<i>O</i>]cobalt(III)
• Authors of publication: Huang, Qiu Ping; Guo, Jing Jing; Zhang, Yi Dong; Zhang, Shu Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: m1047
• a: 13.7293 ± 0.0012 Å
• b: 45.892 ± 0.004 Å
• c: 14.8108 ± 0.0013 Å
• α: 90°
• β: 92.828 ± 0.001°
• γ: 90°
• Cell volume: 9320.4 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1179
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1432
• Weighted residual factors for all reflections included in the refinement: 0.1711
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes