Information card for entry 7006736

Structure parameters

• Formula: C27 H27 F6 N O3 P Pd S Sb
• Calculated formula: C27 H27 F6 N O3 P Pd S Sb
• SMILES: [Sb](F)(F)(F)(F)(F)[F-].[Pd]12([P]3(c4ccccc4)c4ccccc4S(=[O]1)(=O)c1c3cccc1)([OH2])[N](Cc1c2cccc1)(C)C
• Title of publication: Structure and reactivity of new phosphine ligands containing the hemi-labile sulfone moiety.
• Authors of publication: Chapman, Christopher J.; Frost, Christopher G.; Mahon, Mary F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 18
• Pages of publication: 2251 - 2262
• a: 13.795 ± 0.0001 Å
• b: 14.205 ± 0.0001 Å
• c: 15.434 ± 0.0002 Å
• α: 90°
• β: 104.108 ± 0.001°
• γ: 90°
• Cell volume: 2933.19 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• 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: 0.0359
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No