Information card for entry 7054769

Structure parameters

• Chemical name: rac-bis(hexafluoroacetylacetonato)(tris(o-tolyl)phosphino)palladium(II)
• Formula: C31 H23 F12 O4 P Pd
• Calculated formula: C31 H23 F12 O4 P Pd
• SMILES: C(C(=O)/C=C(C(F)(F)F)\O[Pd]1(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)[P](c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C)(F)(F)F
• Title of publication: A missing link between chiral four- and five-coordinate complexes
• Authors of publication: Lennartson, Anders; Håkansson, Mikael
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 5
• Pages of publication: 3353
• a: 11.351 ± 0.0014 Å
• b: 14.4276 ± 0.0017 Å
• c: 19.814 ± 0.002 Å
• α: 90°
• β: 95.639 ± 0.005°
• γ: 90°
• Cell volume: 3229.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0237
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No