Information card for entry 2205813

Structure parameters

• Chemical name: [Pyridine (2‒aniline‒N‒[‒(2‒oxyphenyl)methylene]‒2‒oxoethanehydrazonethionic acid)Ni(II)]
• Formula: C20 H16 N4 Ni O2 S
• Calculated formula: C20 H16 N4 Ni O2 S
• SMILES: [Ni]12(Oc3ccccc3C=[N]2N=C(S1)C(=O)Nc1ccccc1)[n]1ccccc1
• Title of publication: {<i>N</i>-Anilino-2-[(2-oxidophenyl)methylenehydrazono]-2-sulfidoacetamide}pyridinenickel(II)
• Authors of publication: Vladimir N. Yarovenko; Alexander V. Shirokov; Pavel A. Kondrashev; Victor B. Rybakov; Igor V. Zavarzin; Mikhail M. Krayushkin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: m964 - m966
• a: 41.91 ± 0.02 Å
• b: 3.952 ± 0.003 Å
• c: 28.84 ± 0.013 Å
• α: 90°
• β: 126.87 ± 0.04°
• γ: 90°
• Cell volume: 3821 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1081
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes