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Information card for entry 4065221
Preview
| Coordinates | 4065221.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H30 Fe N O5 P Pd S |
|---|---|
| Calculated formula | C30 H30 Fe N O5 P Pd S |
| SMILES | [Pd]1([P]([c]23[Fe]456789%10([cH]%11[cH]7[cH]6[cH]5[cH]4%11)[c]2(S(=O)(=O)O1)[cH]8[cH]9[cH]3%10)(c1c(cccc1)OC)c1c(cccc1)OC)(C)[n]1ccccc1 |
| Title of publication | o-Diarylphosphinoferrocene Sulfonate Palladium Systems for Nonalternating Ethene‒Carbon Monoxide Copolymerization |
| Authors of publication | Chen, Chao; Anselment, Timo M. J.; Fröhlich, Roland; Rieger, Bernhard; Kehr, Gerald; Erker, Gerhard |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 19 |
| Pages of publication | 5248 |
| a | 14.5221 ± 0.0002 Å |
| b | 10.9631 ± 0.0002 Å |
| c | 18.2341 ± 0.0003 Å |
| α | 90° |
| β | 97.508 ± 0.001° |
| γ | 90° |
| Cell volume | 2878.11 ± 0.08 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0708 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| 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 | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178545 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/52. |
4065221.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065221.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065221.cif |
| 33211 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4065217, 4065218, 4065219, 4065220, 4065221, 4065222 via cif-deposit CGI script. |
4065221.cif |
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Users of the data should acknowledge the original authors of the
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