Information card for entry 2207224

Structure parameters

• Chemical name: Tris[N-(3-chlorophenyl)pyridine-2-carboxamidato-κ^2^N,N']cobalt(III) monohydrate
• Formula: C36 H26 Cl3 Co N6 O4
• Calculated formula: C36 H26 Cl3 Co N6 O4
• SMILES: [Co]123(N(c4cc(Cl)ccc4)C(=O)c4[n]1cccc4)(N(c1cc(Cl)ccc1)C(=O)c1[n]2cccc1)N(c1cc(Cl)ccc1)C(=O)c1[n]3cccc1.O
• Title of publication: Tris[<i>N</i>-(3-chlorophenyl)pyridine-2-carboxamidato-κ^2^<i>N</i>,<i>N</i>']cobalt(III) monohydrate
• Authors of publication: Yang, Qi Yun; Yang, Da Wu; Qi, Jian Ying; Zhou, Zhong Yuan; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2362 - m2364
• a: 9.484 ± 0.004 Å
• b: 10.796 ± 0.004 Å
• c: 18.716 ± 0.008 Å
• α: 102.378 ± 0.007°
• β: 93.416 ± 0.007°
• γ: 113.011 ± 0.008°
• Cell volume: 1700.8 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1618
• Residual factor for significantly intense reflections: 0.0747
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.2086
• 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