Information card for entry 2235369

Structure parameters

• Chemical name: (Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[<i>N</i>-(2-hydroxyethyl)- <i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc(II)
• Formula: C16 H20 Cl N3 O S2 Zn
• Calculated formula: C16 H20 Cl N3 O S2 Zn
• SMILES: [Zn]12(Cl)([S]=C(S1)N(CCO)C(C)C)[n]1ccccc1c1[n]2cccc1
• Title of publication: (Bipyridine-κ^2^<i>N</i>,<i>N</i>')chlorido[<i>N</i>-(2-hydroxyethyl)-<i>N</i>-isopropyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>']zinc(II)
• Authors of publication: Mohamad, Fatin Allia; Baba, Ibrahim; Mohamed Tahir, Mohamed Ibrahim; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m958 - m959
• a: 14.5008 ± 0.001 Å
• b: 8.6216 ± 0.0004 Å
• c: 15.9905 ± 0.0009 Å
• α: 90°
• β: 114.423 ± 0.007°
• γ: 90°
• Cell volume: 1820.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes