Information card for entry 2222831

Structure parameters

• Chemical name: Chlorido(1,3-dimethylthiourea-κ<i>S</i>)bis(triphenylphosphine- κ<i>P</i>)copper(I) acetonitrile hemisolvate
• Formula: C40 H39.5 Cl Cu N2.5 P2 S
• Calculated formula: C40 H39.5 Cl Cu N2.5 P2 S
• SMILES: [Cu](Cl)([S]=C(NC)NC)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.CC#N
• Title of publication: Chlorido(1,3-dimethylthiourea-κ<i>S</i>)bis(triphenylphosphine-κ<i>P</i>)copper(I) acetonitrile hemisolvate
• Authors of publication: La-o, Latipah; Pakawatchai, Chaveng; Saithong, Saowanit; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m926
• a: 13.7503 ± 0.0004 Å
• b: 30.0495 ± 0.0009 Å
• c: 18.4227 ± 0.0005 Å
• α: 90°
• β: 90.874 ± 0.001°
• γ: 90°
• Cell volume: 7611.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes