Information card for entry 2015267

Structure parameters

• Chemical name: Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)
• Formula: C20 H16 Cu3 I N4 O S3 W
• Calculated formula: C20 H16 Cu3 I N4 O S3 W
• SMILES: [W]12345([Cu]67([S]3[Cu]31([S]4[Cu]2([S]56)I)[n]1ccccc1c1cccc[n]31)[n]1ccccc1c1cccc[n]71)=O
• Title of publication: Bis(2,2'-bipyridine)iodo(oxo)tri-μ~3~-sulfido-tricopper(I)tungsten(VI)
• Authors of publication: Li, Wen-Ge; Zhang, You-Cai; Wang, Zuo-Wei; Li, Yi-Zhi; Zheng, He-Gen
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: m159 - m160
• a: 8.895 ± 0.001 Å
• b: 9.828 ± 0.001 Å
• c: 16.331 ± 0.002 Å
• α: 79.66 ± 0.01°
• β: 85.9 ± 0.01°
• γ: 67.38 ± 0.01°
• Cell volume: 1296.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes