Information card for entry 4087571

Structure parameters

• Common name: Pd-bis-phosphine complex
• Formula: C28 H24 Cl2 N2 P2 Pd
• Calculated formula: C28 H24 Cl2 N2 P2 Pd
• SMILES: c1n(c2c(n1)[P](c1ccccc1)(c1ccccc1)[Pd](Cl)(Cl)[P]2(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: 11.2228 ± 0.001 Å
• b: 15.2307 ± 0.0013 Å
• c: 15.6328 ± 0.0014 Å
• α: 91.336 ± 0.002°
• β: 91.389 ± 0.002°
• γ: 103.033 ± 0.002°
• Cell volume: 2601.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No