Information card for entry 2233959

Structure parameters

• Chemical name: μ~3~-bromo-tri-μ~3~-sulfido-oxo-tris (triphenylphosphane-<i>κp</i>)-tricopper(I)-tungsten(VI)
• Formula: C54 H45 Br Cu3 O P3 S3 W
• Calculated formula: C54 H45 Br Cu3 O P3 S3 W
• SMILES: [W]12345([Cu]6789([Br]%10[Cu]%1116([Cu]27%10([S]4%11)([S]59)[P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]38)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)=O
• Title of publication: μ~3~-Bromido-oxidotri-μ~3~-sulfido-tris(triphenylphosphane-κ<i>P</i>)tricopper(I)tungsten(VI)
• Authors of publication: Huang, Wenjiang; Zhang, Jinfang; Zhang, Chi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m281
• a: 12.86 ± 0.0013 Å
• b: 17.6436 ± 0.0017 Å
• c: 22.732 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5157.8 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes