Information card for entry 2211356

Structure parameters

• Chemical name: Bis[μ~2~-phenylbis(2-pyridyl)phosphine]-κ^3^N,N':P;κ^3^P:N,N'- bis[chlorocopper(I)]
• Formula: C32 H26 Cl2 Cu2 N4 P2
• Calculated formula: C32 H26 Cl2 Cu2 N4 P2
• SMILES: c12cccc[n]1[Cu]1([n]3c(cccc3)[P]2(c2ccccc2)[Cu]2([n]3c(cccc3)[P]1(c1cccc[n]21)c1ccccc1)Cl)Cl
• Title of publication: Bis[μ~2~-phenylbis(2-pyridyl)phosphine]-κ^3^<i>N</i>,<i>N</i>':<i>P</i>;κ^3^<i>P</i>:<i>N</i>,<i>N</i>'-bis[chlorocopper(I)]
• Authors of publication: Zhang, Tian-Le; Wang, Kai-Li; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3494 - m3495
• a: 9.305 ± 0.001 Å
• b: 10.857 ± 0.001 Å
• c: 15.746 ± 0.002 Å
• α: 90°
• β: 93.033 ± 0.001°
• γ: 90°
• Cell volume: 1588.5 ± 0.3 ų
• Cell temperature: 293 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No