Information card for entry 4087574

Structure parameters

• Formula: C64 H63 B Cl4 Cu3 F4 N7 P4
• Calculated formula: C64 H63 B Cl4 Cu3 F4 N7 P4
• SMILES: [B](F)(F)(F)[F-].Cn1c[n+](C)c2c1[P](c1ccccc1)(c1ccccc1)[Cu]1([Cl][Cu]3([Cl]1)[P](c1c(n(C)c[n+]1C)[P]3(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P]2(c1ccccc1)c1ccccc1.CC#N.CC#N.CC#N.Cl[Cu]Cl
• Title of publication: Synthesis, Structure, and Coordination Chemistry of Phosphine-Functionalized Imidazole/Imidazolium Salts and Cleavage of a C‒P Bond in an NHC‒Phosphenium Salt using a Pd(0) Precursor
• Authors of publication: Karthik, Vedhagiri; Gupta, Vivek; Anantharaman, Ganapathi
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 15
• Pages of publication: 3713
• a: 12.081 ± 0.003 Å
• b: 16.897 ± 0.004 Å
• c: 18.656 ± 0.004 Å
• α: 67.403 ± 0.004°
• β: 72.427 ± 0.004°
• γ: 74.112 ± 0.005°
• Cell volume: 3297.6 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1561
• Weighted residual factors for all reflections included in the refinement: 0.196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No