Information card for entry 7019187

Structure parameters

• Formula: C39 H58 Cl N2 P Pd
• Calculated formula: C39 H58 Cl N2 P Pd
• SMILES: [Pd]([P](Cl)(C1CCCCC1)C1CCCCC1)=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: 12.3612 ± 0.0006 Å
• b: 21.7925 ± 0.001 Å
• c: 14.5546 ± 0.0007 Å
• α: 90°
• β: 96.217 ± 0.001°
• γ: 90°
• Cell volume: 3897.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0791
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No