Information card for entry 2221333

Structure parameters

• Chemical name: Di-μ-chlorido-bis{aquachlorido[2,2'-thiobis(pyridine <i>N</i>-oxide)-κ<i>O</i>]copper(II)}
• Formula: C20 H20 Cl4 Cu2 N4 O6 S2
• Calculated formula: C20 H20 Cl4 Cu2 N4 O6 S2
• SMILES: c1c(n(=[O][Cu]2([OH2])(Cl)[Cl][Cu]([O]=n3ccccc3Sc3ccccn3=O)([OH2])(Cl)[Cl]2)ccc1)Sc1ccccn1=O
• Title of publication: Di-μ-chlorido-bis{aquachlorido[2,2'-thiobis(pyridine <i>N</i>-oxide)-κ<i>O</i>]copper(II)}
• Authors of publication: Seidel, Rüdiger W.; Oppel, Iris M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: m460
• a: 6.7552 ± 0.0018 Å
• b: 11.43 ± 0.003 Å
• c: 17.375 ± 0.003 Å
• α: 90°
• β: 95.516 ± 0.017°
• γ: 90°
• Cell volume: 1335.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes