Information card for entry 2211973

Structure parameters

• Chemical name: Tetrabutylammonium bis[N,N'-bis(4-chlorophenyl)pyridine-2,6-dicarboxamide(1-)]cobalt(III) monohydrate
• Formula: C54 H60 Cl4 Co N7 O5
• Calculated formula: C54 H60 Cl4 Co N7 O5
• Title of publication: Tetrabutylammonium bis[<i>N</i>,<i>N</i>'-bis(4-chlorophenyl)pyridine-2,6-dicarboxamide(1‒)]cobaltate(III) monohydrate
• Authors of publication: Qi, Jian Ying; Yang, Qi Yun; Zhou, Zhong Yuan; Chan, Albert S. C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m159 - m161
• a: 12.9275 ± 0.0017 Å
• b: 24.35 ± 0.003 Å
• c: 18.267 ± 0.002 Å
• α: 90°
• β: 110.154 ± 0.003°
• γ: 90°
• Cell volume: 5398.1 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0979
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes