Information card for entry 2216927

Structure parameters

• Chemical name: μ~3~-Iodo-tri-μ~3~-sulfido-sulfidotris[tris(4-methoxyphenyl)phosphine- κP]tricopper(I)tungsten(VI) N,N-dimethylformide solvate
• Formula: C66 H70 Cu3 I N O10 P3 S4 W
• Calculated formula: C66 H70 Cu3 I N O10 P3 S4 W
• SMILES: [W]12345([Cu]67([I]8[Cu]91([Cu]28([S]49)([S]57)[P](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)([S]36)[P](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)[P](c1ccc(OC)cc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)=S.O=CN(C)C
• Title of publication: μ~3~-Iodo-tri-μ~3~-sulfido-sulfidotris[tris(4-methoxyphenyl)phosphine-κ<i>P</i>]tricopper(I)tungsten(VI) <i>N</i>,<i>N</i>-dimethylformide solvate
• Authors of publication: Tang, Guodong; Zhang, Jinfang; Zhang, Chi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m72 - m73
• a: 10.5383 ± 0.0011 Å
• b: 18.5135 ± 0.0016 Å
• c: 19.3412 ± 0.0019 Å
• α: 68.869 ± 0.005°
• β: 84.706 ± 0.006°
• γ: 80.605 ± 0.006°
• Cell volume: 3470.2 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes