Information card for entry 2219850

Structure parameters

• Chemical name: Tris(diphenylpropylphosphine-κ<i>P</i>)-μ~2~-iodido-tri-μ~3~-sulfido- sulfidotricopper(I)tungsten(VI)
• Formula: C45 H51 Cu3 I P3 S4 W
• Calculated formula: C45 H51 Cu3 I P3 S4 W
• SMILES: [W]12345([Cu]67([I][Cu]1([S]36)([S]4[Cu]2([S]57)[P](c1ccccc1)(c1ccccc1)CCC)[P](c1ccccc1)(c1ccccc1)CCC)[P](c1ccccc1)(c1ccccc1)CCC)=S
• Title of publication: Tris(diphenylpropylphosphine-κ<i>P</i>)-μ~2~-iodido-tri-μ~3~-sulfido-sulfidotricopper(I)tungsten(VI)
• Authors of publication: Tang, Guodong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1421
• a: 11.7161 ± 0.001 Å
• b: 13.104 ± 0.0013 Å
• c: 17.1958 ± 0.0015 Å
• α: 86.491 ± 0.006°
• β: 77.568 ± 0.005°
• γ: 74.103 ± 0.005°
• Cell volume: 2479.5 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes