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Information card for entry 2236666
Preview
| Coordinates | 2236666.cif |
|---|---|
| Structure factors | 2236666.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Acetato-κ^2^<i>O</i>,<i>O</i>')[2'-(di-<i>tert</i>-butylphosphanyl)-1,1'- biphenyl-κ^2^<i>P</i>,<i>C</i>^2^]palladium(II) |
|---|---|
| Formula | C22 H29 O2 P Pd |
| Calculated formula | C22 H29 O2 P Pd |
| SMILES | C1(C)=[O][Pd]2(c3c(c4c(cccc4)[P]2(C(C)(C)C)C(C)(C)C)cccc3)O1 |
| Title of publication | (Acetato-κ^2^<i>O</i>,<i>O</i>')[2'-(di-<i>tert</i>-butylphosphanyl)-1,1'-biphenyl-κ^2^<i>P</i>,<i>C</i>^2^]palladium(II) |
| Authors of publication | Arderne, Charmaine; Holzapfel, Cedric W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | m1308 |
| a | 9.8 ± 0.003 Å |
| b | 14.2392 ± 0.0004 Å |
| c | 14.7772 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2062.1 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0144 |
| Residual factor for significantly intense reflections | 0.0139 |
| Weighted residual factors for significantly intense reflections | 0.0339 |
| Weighted residual factors for all reflections included in the refinement | 0.0342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181288 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/66. |
2236666.cif 2236666.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236666.cif 2236666.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236666.cif 2236666.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. | 2236666.cif 2236666.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236666.cif 2236666.hkl |
| 70261 | 2012-12-21 | cif/ Adding structures of 2236666 via cif-deposit CGI script. |
2236666.cif |
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Users of the data should acknowledge the original authors of the
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