Information card for entry 7007991

Structure parameters

• Formula: C29 H39 F3 N O2 P Pd
• Calculated formula: C29 H39 F3 N O2 P Pd
• SMILES: c12ccccc1C[N](C)(C)[Pd]2(OC(=O)C(F)(F)F)[P](c1ccccc1)(C1CCCCC1)C1CCCCC1
• Title of publication: Polystyrene-supported dicyclohexylphenylphosphine adducts of amine- and phosphite-based palladacycles in the Suzuki coupling of aryl chlorides.
• Authors of publication: Bedford, Robin B.; Coles, Simon J.; Hursthouse, Michael B.; Scordia, Véronique J M
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 5
• Pages of publication: 991 - 995
• a: 13.4166 ± 0.0019 Å
• b: 11.8901 ± 0.0006 Å
• c: 18.106 ± 0.002 Å
• α: 90°
• β: 108.377 ± 0.012°
• γ: 90°
• Cell volume: 2741.1 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0395
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No