Information card for entry 2222644

Structure parameters

• Chemical name: {Bis[2-(diphenylphosphino)phenyl] ether-κ^2^<i>P</i>:<i>P</i>'}(dimethyl 2,2'-biphenyl-4,4'-dicarboxylate-κ^2^<i>N</i>:<i>N</i>')copper(I) hexafluoridophosphate acetonitrile solvate
• Formula: C52 H43 Cu F6 N3 O5 P3
• Calculated formula: C52 H43 Cu F6 N3 O5 P3
• SMILES: C(#N)C.[Cu]12([P](c3ccccc3)(c3ccccc3)c3ccccc3Oc3c([P]1(c1ccccc1)c1ccccc1)cccc3)[n]1c(c3[n]2ccc(c3)C(=O)OC)cc(cc1)C(=O)OC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: {Bis[2-(diphenylphosphino)phenyl] ether-κ^2^<i>P</i>:<i>P</i>'}(dimethyl 2,2'-biphenyl-4,4'-dicarboxylate-κ^2^<i>N</i>:<i>N</i>')copper(I) hexafluoridophosphate acetonitrile solvate
• Authors of publication: Yu, Ai-Guo; Zhang, Ming; Yang, Guang-Di; Ye, Ling; Ma, Yu-Guang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: m875
• a: 10.7163 ± 0.0016 Å
• b: 11.9178 ± 0.0012 Å
• c: 19.879 ± 0.004 Å
• α: 73.288 ± 0.005°
• β: 88.41 ± 0.005°
• γ: 79.863 ± 0.004°
• Cell volume: 2392.9 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1267
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes