Information card for entry 7024652

Structure parameters

• Formula: C38 H38 B2 Cl4 F8 N4 P2 Pd
• Calculated formula: C38 H38 B2 Cl4 F8 N4 P2 Pd
• SMILES: [B](F)(F)(F)[F-].C1c2cccc[n]2[Pd]2([n]3c(C[P]2(Cc2ccccn2)c2ccccc2)cccc3)[P]1(Cc1ncccc1)c1ccccc1.C(Cl)Cl.[B](F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Palladium and iridium complexes with a N,P,N-bis(pyridine)phenylphosphine ligand.
• Authors of publication: Liu, Shaofeng; Peloso, Riccardo; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 2563 - 2572
• a: 18.0622 ± 0.0006 Å
• b: 10.3296 ± 0.0003 Å
• c: 23.7608 ± 0.0009 Å
• α: 90°
• β: 94.187 ± 0.002°
• γ: 90°
• Cell volume: 4421.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No