Information card for entry 2219999

Structure parameters

• Chemical name: Tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ^2^<i>P</i>:<i>P</i>'; 1:3κ^2^<i>P</i>:<i>P</i>';2:3κ^2^<i>P</i>:<i>P</i>'-di-μ-bromido- 1:2κ^4^Br:Br-bromido-3κBr-tricopper(I) acetone hemisolvate
• Formula: C79.5 H75 Br3 Cu3 O0.5 P6
• Calculated formula: C79.5 H75 Br3 Cu3 O0.5 P6
• Title of publication: Tris[μ-1,2-bis(diphenylphosphino)ethane]-1:2κ^2^<i>P</i>:<i>P</i>';1:3κ^2^<i>P</i>:<i>P</i>';2:3κ^2^<i>P</i>:<i>P</i>'-di-μ-bromido-1:2κ^4^<i>Br</i>:<i>Br</i>-bromido-3κ<i>Br</i>-tricopper(I) acetone hemisolvate
• Authors of publication: Shi, Wen-Juan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1411
• a: 18.6878 ± 0.001 Å
• b: 17.108 ± 0.0009 Å
• c: 25.2742 ± 0.0013 Å
• α: 90°
• β: 109.924 ± 0.001°
• γ: 90°
• Cell volume: 7596.8 ± 0.7 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.14
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes