Information card for entry 4319037

Structure parameters

• Common name: [CuI(dppp)]2
• Formula: C27 H26 Cu I P2
• Calculated formula: C27 H26 Cu I P2
• Title of publication: Copper(I) Halide Complexes with 1,3-Propanebis(diphenylphosphine) and Heterocyclic Thione Ligands: Crystal and Electronic Structures (DFT) of [CuCl(pymtH)(dppp)], [CuBr(pymtH)(dppp)], and [Cu(μ-I)(dppp)]2
• Authors of publication: Paraskevas Aslanidis; Philip J. Cox; Savvas Divanidis; Athanassios C. Tsipis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6875 - 6886
• a: 9.9164 ± 0.0002 Å
• b: 10.5308 ± 0.0002 Å
• c: 12.7852 ± 0.0003 Å
• α: 74.905 ± 0.002°
• β: 75.826 ± 0.002°
• γ: 82.5563 ± 0.001°
• Cell volume: 1246.73 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0763
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No