Information card for entry 2014816

Structure parameters

• Chemical name: Chloro(2-benzoylpyridine-κN)(butane-1,4-diyl)thiosemicarbazonato- κ^2^N^1^,S)copper(II)
• Formula: C17 H17 Cl Cu N4 S
• Calculated formula: C17 H17 Cl Cu N4 S
• SMILES: Cl[Cu]12[N](=C(c3cccc[n]13)c1ccccc1)N=C(N1CCCC1)S2
• Title of publication: Bis(μ-phenyl 2-pyridyl ketone <i>N</i>^4^,<i>N</i>^4^-butane-1,4-diylthiosemicarbazonato)bis[chlorocopper(II)]
• Authors of publication: A. Sreekanth; V. Suni; Rohith P. John; Munirathinam Nethaji; M. R. Prathapachandra Kurup
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m284 - m286
• a: 11.1069 ± 0.0018 Å
• b: 8.2919 ± 0.0014 Å
• c: 18.642 ± 0.003 Å
• α: 90°
• β: 98.061 ± 0.003°
• γ: 90°
• Cell volume: 1699.9 ± 0.5 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: 0.0387
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes