Information card for entry 7025799

Structure parameters

• Formula: C23 H27 Cl4 O3 P Pd Se
• Calculated formula: C23 H27 Cl4 O3 P Pd Se
• SMILES: [Pd]1(Cl)(Cl)[Se](c2ccccc2)c2c(cccc2)[P]21[C@]1(C[C@]3(O[C@@]2(C[C@@](O1)(O3)C)C)C)C.C(Cl)Cl.[Pd]1(Cl)(Cl)[Se](c2ccccc2)c2c(cccc2)[P]21[C@@]1(C[C@@]3(O[C@]2(C[C@](O1)(O3)C)C)C)C.C(Cl)Cl
• Title of publication: Versatile routes to selenoether functionalised tertiary phosphines.
• Authors of publication: Cunningham, Tom J.; Elsegood, Mark R. J.; Kelly, Paul F.; Smith, Martin B.; Staniland, Paul M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5216 - 5218
• a: 11.0639 ± 0.0005 Å
• b: 11.064 ± 0.0005 Å
• c: 11.7858 ± 0.0005 Å
• α: 89.7421 ± 0.0007°
• β: 76.3793 ± 0.0007°
• γ: 68.4046 ± 0.0006°
• Cell volume: 1298.31 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0221
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0448
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No