Information card for entry 4308345

Structure parameters

• Formula: C12 H12 Cl2 N2 S Zn
• Calculated formula: C12 H12 Cl2 N2 S Zn
• SMILES: [n]12c(cccc2)CSCc2[n]([Zn]1(Cl)Cl)cccc2
• Title of publication: Solid-State and Solution-State Coordination Chemistry of the Zinc Triad with the Mixed N,S Donor Ligand Bis(2-methylpyridyl) Sulfide
• Authors of publication: Steven M. Berry; Deborah C. Bebout; Raymond J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 27 - 39
• a: 8.8379 ± 0.0006 Å
• b: 8.8379 ± 0.0006 Å
• c: 18.423 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1439 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.019
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No