Information card for entry 7024651

Structure parameters

• Formula: C38 H38 Cl6 F12 N4 P4 Pd2
• Calculated formula: C38 H38 Cl6 F12 N4 P4 Pd2
• SMILES: [Pd]123[P](Cc4[n]2cccc4)(Cc2[n]([Pd]([n]4c(C[P]1(Cc1[n]3cccc1)c1ccccc1)cccc4)(Cl)Cl)cccc2)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl
• 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: 11.4281 ± 0.0002 Å
• b: 14.2341 ± 0.0005 Å
• c: 16.4503 ± 0.0005 Å
• α: 92.746 ± 0.002°
• β: 101.798 ± 0.002°
• γ: 108.351 ± 0.002°
• Cell volume: 2467.99 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No