Information card for entry 7024515

Structure parameters

• Formula: C34 H28 B Cl F4 N2 P2 Pd
• Calculated formula: C34 H28 B Cl F4 N2 P2 Pd
• SMILES: [B](F)(F)(F)[F-].c1cccc2[n]1[Pd]1(Cl)[P]2(c2ccccc2)(c2ccccc2)[n]2c(cccc2)[P]1(c1ccccc1)c1ccccc1
• Title of publication: The synthesis of, and characterization of the dynamic processes occurring in Pd(II) chelate complexes of 2-pyridyldiphenylphosphine.
• Authors of publication: Liu, Jianke; Jacob, Chacko; Sheridan, Kelly J.; Al-Mosule, Firas; Heaton, Brian T.; Iggo, Jonathan A.; Matthews, Mark; Pelletier, Jeremie; Whyman, Robin; Bickley, Jamie F.; Steiner, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 34
• Pages of publication: 7921 - 7935
• a: 17.704 ± 0.002 Å
• b: 18.156 ± 0.002 Å
• c: 20.149 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6476.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No