Information card for entry 2225516

Structure parameters

• Chemical name: Bis(isopropyltriphenylphosphonium) di-μ-iodido-bis[iodidocopper(I)]
• Formula: C42 H44 Cu2 I4 P2
• Calculated formula: C42 H44 Cu2 I4 P2
• SMILES: [P+](C(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1.[Cu]12(I)[I][Cu]1(I)[I]2.[P+](C(C)C)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Bis(isopropyltriphenylphosphonium) di-μ-iodido-bis[iodidocopper(I)]
• Authors of publication: Jalilian, Ehsan; Lidin, Sven
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: m432 - m433
• a: 11.5503 ± 0.0001 Å
• b: 12.2422 ± 0.0001 Å
• c: 15.2619 ± 0.0001 Å
• α: 90°
• β: 94.91°
• γ: 90°
• Cell volume: 2150.13 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0294
• Residual factor for significantly intense reflections: 0.0213
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes