Information card for entry 2241948

Structure parameters

• Chemical name: [<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) chloroform monosolvate
• Formula: C42 H41 Cl3 Cu N O2 P2 S2
• Calculated formula: C42 H41 Cl3 Cu N O2 P2 S2
• SMILES: [Cu]1([S]=C(S1)N(CCO)CCO)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: [<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)dithiocarbamato-κ^2^<i>S</i>,<i>S</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) chloroform monosolvate: crystal structure, Hirshfeld surface analysis and solution NMR measurements
• Authors of publication: Tan, Sang Loon; Yeo, Chien Ing; Heard, Peter J.; Akien, Geoffrey R.; Halcovitch, Nathan R.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 12
• Pages of publication: 1799 - 1805
• a: 10.7271 ± 0.0002 Å
• b: 13.5412 ± 0.0002 Å
• c: 15.9361 ± 0.0003 Å
• α: 67.747 ± 0.002°
• β: 87.126 ± 0.002°
• γ: 72.826 ± 0.002°
• Cell volume: 2041.92 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes