Information card for entry 2203834

Structure parameters

• Chemical name: Iodo(1-methyl-2-mercaptoimidazole-κS)bis(triphenylphosphine-κP)copper(I)
• Formula: C40 H36 Cu I N2 P2 S
• Calculated formula: C40 H36 Cu I N2 P2 S
• SMILES: I[Cu]([S]=C1NC=CN1C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Iodo(1-methyl-2-mercaptoimidazole-κ<i>S</i>)bis(triphenylphosphine-κ<i>P</i>)copper(I)
• Authors of publication: Li, Dan; Luo, Ya-Fang; Wu, Tao; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m726 - m727
• a: 22.203 ± 0.001 Å
• b: 17.877 ± 0.001 Å
• c: 18.487 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7337.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes