Information card for entry 2229057

Structure parameters

• Chemical name: {2,6-Bis[(2,6-diphenylphosphanyl)oxy]-4-fluorophenyl- κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}(6-methyl-2,2,4-trioxo-3,4-dihydro- 1,2,3-oxathiazin-3-ido-κ<i>N</i>)palladium(II)
• Formula: C34 H26 F N O6 P2 Pd S
• Calculated formula: C34 H26 F N O6 P2 Pd S
• SMILES: [Pd]12([P](Oc3c2c(O[P]1(c1ccccc1)c1ccccc1)cc(F)c3)(c1ccccc1)c1ccccc1)N1S(=O)(=O)OC(=CC1=O)C
• Title of publication: {2,6-Bis[(2,6-diphenylphosphanyl)oxy]-4-fluorophenyl-κ^3^<i>P</i>,<i>C</i>^1^,<i>P</i>'}(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ido-κ<i>N</i>)palladium(II)
• Authors of publication: Wicker, Benjamin F.; Seaman, Rachel; Hoffman, Norris W.; Davis, Jr, James H.; Sykora, Richard E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: m286 - m287
• a: 10.6088 ± 0.0012 Å
• b: 11.0069 ± 0.0007 Å
• c: 14.066 ± 0.002 Å
• α: 89.175 ± 0.009°
• β: 88.524 ± 0.012°
• γ: 82.021 ± 0.007°
• Cell volume: 1625.9 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes