Information card for entry 7006110

Structure parameters

• Formula: C20 H33 Cl4 N2 P Pd
• Calculated formula: C20 H33 Cl4 N2 P Pd
• SMILES: [Pd]1(Cl)(Cl)[P](CN(c2[n]1cccc2)C)(C1CCCCC1)C1CCCCC1.C(Cl)Cl
• Title of publication: Steric control over the formation of cis and trans bis-chelated palladium(II) complexes using a new series of flexible N,P pyridyl-phosphine ligands.
• Authors of publication: Clarke, Deborah A.; Miller, Philip W.; Long, Nicholas J.; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 40
• Pages of publication: 4556 - 4564
• a: 11.523 ± 0.0013 Å
• b: 15.8628 ± 0.0019 Å
• c: 13.3819 ± 0.0012 Å
• α: 90°
• β: 97.806 ± 0.008°
• γ: 90°
• Cell volume: 2423.4 ± 0.5 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: 0.0474
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No