Information card for entry 4110286

Structure parameters

• Formula: C29 H23 Cl10 N3 O2 Pd
• Calculated formula: C29 H23 Cl10 N3 O2 Pd
• SMILES: [Pd]12(Cl)(N3C(=O)CCC3=O)([n]3ccccc3c3ccccc13)[n]1ccccc1c1ccccc21.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
• Title of publication: Reactivity of Pd(II) Complexes with Electrophilic Chlorinating Reagents: Isolation of Pd(IV) Products and Observation of C-Cl Bond-Forming Reductive Elimination
• Authors of publication: Salena R. Whitfield; Melanie S. Sanford
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15142 - 15143
• a: 9.264 ± 0.005 Å
• b: 12.458 ± 0.007 Å
• c: 16.136 ± 0.009 Å
• α: 73.298 ± 0.007°
• β: 87.149 ± 0.007°
• γ: 75.923 ± 0.008°
• Cell volume: 1729.7 ± 1.7 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No