Information card for entry 7705421

Structure parameters

• Formula: C44 H32 Cu I3 P2
• Calculated formula: C44 H32 Cu I3 P2
• SMILES: c12c3c(cccc3ccc1)[I][Cu]([P]2(c1ccccc1)c1ccccc1)([P](c1c2c(cccc2ccc1)I)(c1ccccc1)c1ccccc1)I
• Title of publication: Cu-Catalyzed P-C bond formation/cleavage: straightforward synthesis/ring-expansion of strained cyclic phosphoniums.
• Authors of publication: Duval, Maryne; Blons, Charlie; Mallet-Ladeira, Sonia; Delcroix, Damien; Magna, Lionel; Olivier-Bourbigou, Hélène; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Amgoune, Abderrahmane; Szalóki, György; Bourissou, Didier
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 13100 - 13109
• a: 10.971 ± 0.002 Å
• b: 18.18 ± 0.003 Å
• c: 20.965 ± 0.003 Å
• α: 90°
• β: 102.961 ± 0.007°
• γ: 90°
• Cell volume: 4075 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No