Information card for entry 2239776

Structure parameters

• Chemical name: Dichlorido{(2<i>E</i>)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide}cadmium(II) methanol monosolvate
• Formula: C14 H16 Cd Cl2 N4 O S
• Calculated formula: C14 H16 Cd Cl2 N4 O S
• SMILES: c1cccc2C(c3ccccc3)=[N]3NC(=[S][Cd]3([n]12)(Cl)Cl)N.CO
• Title of publication: Dichlorido{(2<i>E</i>)-2-[phenyl(pyridin-2-yl)methylidene]hydrazinecarbothioamide}cadmium(II) methanol monosolvate
• Authors of publication: Aravindakshan, Ambili A.; Seena, V.; Sithambaresan, M.; Kurup, M. R. Prathapachandra
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m301 - m302
• a: 7.7213 ± 0.0004 Å
• b: 12.9759 ± 0.0008 Å
• c: 18.3318 ± 0.0011 Å
• α: 90°
• β: 95.248 ± 0.002°
• γ: 90°
• Cell volume: 1828.98 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0343
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes