Information card for entry 4065413

Structure parameters

• Formula: C37 H29 Cl9 F3 N3 O2 Pd
• Calculated formula: C34 H26 F3 N3 O2 Pd
• SMILES: [Pd]12([n]3ccccc3C(c3[n]1cccc3)(C)c1ccccc21)(N1C(=O)c2ccccc2C1=O)(c1ccc(cc1)C)C(F)(F)F
• Title of publication: Facial Tridentate Ligands for Stabilizing Palladium(IV) Complexes
• Authors of publication: Maleckis, Ansis; Sanford, Melanie S.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 24
• Pages of publication: 6617
• a: 9.8196 ± 0.0002 Å
• b: 19.3578 ± 0.0004 Å
• c: 21.485 ± 0.0015 Å
• α: 90°
• β: 98.596 ± 0.007°
• γ: 90°
• Cell volume: 4038.1 ± 0.3 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• 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: 0.0556
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No