Information card for entry 4337449

Structure parameters

• Formula: C32 H35 F4 N2 O2 P Pd
• Calculated formula: C32 H35 F4 N2 O2 P Pd
• SMILES: [Pd]12([P](Cc3[n]2c2c(cc3)cccc2[NH]1c1ccccc1)(C(C)(C)C)C(C)(C)C)c1ccc(F)cc1.FC(F)(F)C(=O)[O-]
• Title of publication: Room temperature rapid functionalization of E-H bonds (E = O, N, S) via the metal-ligand cooperation mechanism.
• Authors of publication: Scharf, Adam; Goldberg, Israel; Vigalok, Arkadi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 12 - 14
• a: 12.999 ± 0.0007 Å
• b: 17.0995 ± 0.0009 Å
• c: 17.4393 ± 0.0009 Å
• α: 75.968 ± 0.002°
• β: 80.708 ± 0.002°
• γ: 82.083 ± 0.002°
• Cell volume: 3691.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No