Information card for entry 2311370

Structure parameters

• Chemical name: μ~3~-Chlorido-μ~2~-chlorido-(μ~3~-pyrrolidine-1-carbodithioato-κ^4^<i>S</i>:<i>S</i>,<i>S</i>':<i>S</i>')tris[(triethylphosphane-κ<i>P</i>)copper(I)]
• Formula: C23 H53 Cl2 Cu3 N P3 S2
• Calculated formula: C23 H53 Cl2 Cu3 N P3 S2
• SMILES: [Cu]12([Cl][Cu]3([Cl]1[Cu]1([S]2=C([S]31)N1CCCC1)[P](CC)(CC)CC)[P](CC)(CC)CC)[P](CC)(CC)CC
• Title of publication: μ₃-Chlorido-μ₂-chlorido-(μ₃-pyrrolidine-1-carbo-dithio-ato-κ⁴<i>S</i>:<i>S</i>,<i>S</i>':<i>S</i>')tris-[(tri-ethyl-phosphane-κ<i>P</i>)copper(I)]: crystal structure and Hirshfeld surface analysis.
• Authors of publication: Tan, Yi Jiun; Yeo, Chien Ing; Halcovitch, Nathan R.; Jotani, Mukesh M.; Tiekink, Edward R. T.
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 720 - 725
• a: 10.6489 ± 0.0002 Å
• b: 31.7578 ± 0.0004 Å
• c: 10.7212 ± 0.0002 Å
• α: 90°
• β: 108.607 ± 0.002°
• γ: 90°
• Cell volume: 3436.24 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No