Information card for entry 2200835

Structure parameters

• Common name: L4chlorideCuCl2
• Formula: C10 H7 Cl3 Cu N2 S
• Calculated formula: C10 H7 Cl3 Cu N2 S
• SMILES: [Cu]1(Cl)(Cl)[n]2c(Cl)cccc2Sc2[n]1cccc2
• Title of publication: Dichloro[2-chloro-6-(mercaptopyridin-2-yl)pyridine]copper(II)
• Authors of publication: Blake, Alexander J.; George, Michael W.; Hubberstey, Peter; Lopez Garcia, Roberto; Wilson, Claire
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m96 - m98
• a: 13.1739 ± 0.0012 Å
• b: 9.6928 ± 0.0009 Å
• c: 21.137 ± 0.002 Å
• α: 90°
• β: 104.51 ± 0.002°
• γ: 90°
• Cell volume: 2612.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0331
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes