Information card for entry 7024653

Structure parameters

• Formula: C22 H23 F12 N4 P3 Pd
• Calculated formula: C22 H23 F12 N4 P3 Pd
• SMILES: [Pd]12([P](Cc3[n]1cccc3)(Cc1[n]2cccc1)c1ccccc1)[N]#CC.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC
• 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: 10.0969 ± 0.0005 Å
• b: 33.825 ± 0.0009 Å
• c: 8.5479 ± 0.0004 Å
• α: 90°
• β: 101.223 ± 0.002°
• γ: 90°
• Cell volume: 2863.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No