Information card for entry 4325011

Structure parameters

• Formula: C60 H48 Cu O P2 S6 W
• Calculated formula: C60 H48 Cu O P2 S6 W
• SMILES: S1[W]23([Cu]1(S3)Sc1ccccc1[S-])(=O)Sc1c(S2)cccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Dangling Thiyl Radical: Stabilized in [PPh4]2[(bdt)WVI(O)(μ-S)2CuI(SC6H4S.)]
• Authors of publication: Moumita Bose; Golam Moula; Ameerunisha Begum; Sabyasachi Sarkar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3852 - 3854
• a: 10.773 ± 0.005 Å
• b: 10.935 ± 0.005 Å
• c: 23.724 ± 0.005 Å
• α: 79.498 ± 0.005°
• β: 86.561 ± 0.005°
• γ: 77.836 ± 0.005°
• Cell volume: 2685.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No