Information card for entry 4087575

Structure parameters

• Common name: Copper-phosphine complex
• Formula: C58 H54 B2 Cu F8 N4 P4
• Calculated formula: C58 H54 B2 Cu F8 N4 P4
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1n(c2c([n+]1C)[P](c1ccccc1)(c1ccccc1)[Cu]1([P]2(c2ccccc2)c2ccccc2)[P](c2c(n(c[n+]2C)C)[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C
• 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: 13.283 ± 0.004 Å
• b: 21.765 ± 0.007 Å
• c: 21.769 ± 0.006 Å
• α: 90°
• β: 97.313 ± 0.006°
• γ: 90°
• Cell volume: 6242 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1156
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.2049
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No