Information card for entry 2235680

Structure parameters

• Chemical name: Bis[1,3-bis(diphenylphosphanyl)propane]copper(I) tetrachloridogallate(III)
• Formula: C54 H52 Cl4 Cu Ga P4
• Calculated formula: C54 H52 Cl4 Cu Ga P4
• SMILES: [Cu]12([P](CCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](CCC[P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.[Ga](Cl)(Cl)([Cl-])Cl
• Title of publication: Bis[1,3-bis(diphenylphosphanyl)propane]copper(I) tetrachloridogallate(III)
• Authors of publication: Wang, Nian-Nian; Hu, Feng; Duan, Tai-Ke; Chen, Qun; Zhang, Qian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m870
• a: 21.077 ± 0.004 Å
• b: 11.2 ± 0.002 Å
• c: 22.605 ± 0.005 Å
• α: 90°
• β: 99.424 ± 0.003°
• γ: 90°
• Cell volume: 5264.2 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1122
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1586
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes