Information card for entry 2219720

Structure parameters

• Chemical name: bis{[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bromidocopper(I)} acetone disolvate
• Formula: C84 H84 Br2 Cu2 O2 P6
• Calculated formula: C84 H84 Br2 Cu2 O2 P6
• SMILES: c1(ccccc1)[P]1(c2ccccc2)CC[P](c2ccccc2)(c2ccccc2)[Cu]1([P](c1ccccc1)(c1ccccc1)CC[P](c1ccccc1)(c1ccccc1)[Cu]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)Br)Br.O=C(C)C.O=C(C)C
• Title of publication: μ-1,2-Bis(diphenylphosphino)ethane-κ^2^<i>P</i>:<i>P</i>'-bis{[1,2-bis(diphenylphosphino)ethane-κ^2^<i>P</i>,<i>P</i>']bromidocopper(I)} acetone disolvate
• Authors of publication: Shi, Wen-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1346 - m1347
• a: 12.5301 ± 0.0006 Å
• b: 21.8966 ± 0.001 Å
• c: 14.8028 ± 0.0007 Å
• α: 90°
• β: 105.932 ± 0.001°
• γ: 90°
• Cell volume: 3905.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0709
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1161
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes