Information card for entry 7019186

Structure parameters

• Formula: C35 H54 Cl N2 P Pd
• Calculated formula: C35 H54 Cl N2 P Pd
• SMILES: [Pd]([P](Cl)(C(C)(C)C)C(C)(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Generation of [(IPr)Pd(PR(2)Cl)] complexes via P-Cl reductive elimination.
• Authors of publication: Tardiff, Bennett J.; Hesp, Kevin D.; Ferguson, Michael J.; Stradiotto, Mark
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7883 - 7885
• a: 18.2945 ± 0.0011 Å
• b: 18.053 ± 0.001 Å
• c: 22.0271 ± 0.0013 Å
• α: 90°
• β: 96.3508 ± 0.0007°
• γ: 90°
• Cell volume: 7230.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No