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Information card for entry 2229057
Preview
Coordinates | 2229057.cif |
---|---|
Structure factors | 2229057.hkl |
Original IUCr paper | HTML |
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) |
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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 Å3 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229057.html
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