Information card for entry 7051350

Structure parameters

• Formula: C32 H23 F3 O4 P2 Pd
• Calculated formula: C32 H23 F3 O4 P2 Pd
• SMILES: [Pd]12([P](Oc3c2c(O[P]1(c1ccccc1)c1ccccc1)ccc3)(c1ccccc1)c1ccccc1)OC(=O)C(F)(F)F
• Title of publication: Palladium bis(phosphinite) 'PCP'-pincer complexes and their application as catalysts in the Suzuki reaction
• Authors of publication: Bedford, Robin B.; Draper, Sylvia M.; Noelle Scully, P.; Welch, Samantha L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2000
• Journal volume: 24
• Journal issue: 10
• Pages of publication: 745
• a: 10.469 ± 0.002 Å
• b: 15.8692 ± 0.0009 Å
• c: 17.2811 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2871 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.2743
• Weighted residual factors for all reflections included in the refinement: 0.3108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No