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Information card for entry 2229887
Preview
| Coordinates | 2229887.cif |
|---|---|
| Structure factors | 2229887.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']{2-[(4- nitrobenzoylmethyl)diphenylphosphanyl]phenyl- κ^2^<i>C</i>,<i>C</i>'}palladium(II) trifluoromethanesulfonate‒dichloromethane‒<i>n</i>-hexane (1/1/0.5) |
|---|---|
| Formula | C57 H52 Cl2 F3 N O6 P3 Pd S |
| Calculated formula | C57 H52 Cl2 F3 N O6 P3 Pd S |
| Title of publication | [1,2-Bis(diphenylphosphanyl)ethane-κ^2^<i>P</i>,<i>P</i>']{2-[(4-nitrobenzoylmethyl)diphenylphosphanyl]phenyl-κ^2^<i>C</i>,<i>C</i>'}palladium(II) trifluoromethanesulfonate‒dichloromethane‒<i>n</i>-hexane (1/1/0.5) |
| Authors of publication | Rizzoli, Corrado; Karami, Kazem; Borzooie, Farzaneh |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m416 - m417 |
| a | 12.4063 ± 0.0007 Å |
| b | 14.2445 ± 0.0008 Å |
| c | 31.3633 ± 0.0017 Å |
| α | 90° |
| β | 91.6675 ± 0.0009° |
| γ | 90° |
| Cell volume | 5540.2 ± 0.5 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0441 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0717 |
| Weighted residual factors for all reflections included in the refinement | 0.0761 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181219 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/98. |
2229887.cif 2229887.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229887.cif 2229887.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229887.cif 2229887.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2229887.cif 2229887.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229887.cif 2229887.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229887.cif 2229887.hkl |
| 19366 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229887 via cif-deposit CGI script. |
2229887.cif |
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