Information card for entry 2218717

Structure parameters

• Chemical name: Iodido(<i>N</i>-phenylthiourea)bis(triphenylphosphine)copper(I)
• Formula: C43 H38 Cu I N2 P2 S
• Calculated formula: C43 H38 Cu I N2 P2 S
• SMILES: [Cu](I)([S]=C(N)Nc1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Iodido(<i>N</i>-phenylthiourea)bis(triphenylphosphine)copper(I)
• Authors of publication: Nimthong, Ruthairat; Pakawatchai, Chaveng; Saithong, Saowanit; Charmant, Jonathan P. H.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m977
• a: 10.9505 ± 0.0009 Å
• b: 18.7294 ± 0.0015 Å
• c: 21.3731 ± 0.0018 Å
• α: 67.422 ± 0.001°
• β: 77.215 ± 0.001°
• γ: 73.224 ± 0.001°
• Cell volume: 3844.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1218
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes