Information card for entry 7020228

Structure parameters

• Formula: C16 H29 Cl N P Pd
• Calculated formula: C16 H29 Cl N P Pd
• SMILES: [Pd]1(Cl)([P](Cc2[n]1c(C)ccc2)(C(C)(C)C)C(C)(C)C)C
• Title of publication: N-H bond activation by palladium(II) and copper(I) complexes featuring a reactive bidentate PN-ligand.
• Authors of publication: de Boer, Sandra Y.; Gloaguen, Yann; Reek, Joost N. H.; Lutz, Martin; van der Vlugt, Jarl Ivar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11276 - 11283
• a: 10.0545 ± 0.0003 Å
• b: 15.8268 ± 0.0005 Å
• c: 11.3903 ± 0.0004 Å
• α: 90°
• β: 91.601 ± 0.001°
• γ: 90°
• Cell volume: 1811.84 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0263
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0475
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No