Information card for entry 2230388

Structure parameters

• Common name: Chlorido(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(triphenylphosphane- κ<i>P</i>)copper(I)
• Chemical name: Chloro(1<i>H</i>-imidazole-<i>N</i>)bis(triphenylphosphane)copper(I)
• Formula: C39 H34 Cl Cu N2 P2
• Calculated formula: C39 H34 Cl Cu N2 P2
• SMILES: [Cu](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1cc[nH]c1
• Title of publication: Chlorido(1<i>H</i>-imidazole-κ<i>N</i>^3^)bis(triphenylphosphane-κ<i>P</i>)copper(I)
• Authors of publication: Hossaini Sadr, Moayad; Kia, Reza; Soltani, Behzad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m765
• a: 13.674 ± 0.005 Å
• b: 12.407 ± 0.005 Å
• c: 20.353 ± 0.005 Å
• α: 90°
• β: 98.956 ± 0.005°
• γ: 90°
• Cell volume: 3411 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes