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Information card for entry 4070143
Preview
| Coordinates | 4070143.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H62 F3 N2 O4 P3 Pd S |
|---|---|
| Calculated formula | C61 H62 F3 N2 O4 P3 Pd S |
| SMILES | S(=O)(=O)([O-])C(F)(F)F.O1CCCC1.[Pd]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(P1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | A Cation-Captured Palladium(0) Anion: Synthesis, Structure, and Bonding of [PdBr(PPh3)2]−Ligated by an N-Heterocyclic Phosphenium Cation |
| Authors of publication | Caputo, Christine A.; Brazeau, Allison L.; Hynes, Zachery; Price, Jacquelyn T.; Tuononen, Heikki M.; Jones, Nathan D. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 17 |
| Pages of publication | 5261 |
| a | 12.465 ± 0.003 Å |
| b | 14.141 ± 0.003 Å |
| c | 16.332 ± 0.003 Å |
| α | 88.19 ± 0.03° |
| β | 80.1 ± 0.03° |
| γ | 82.02 ± 0.03° |
| Cell volume | 2808.4 ± 1.1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0971 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1369 |
| Weighted residual factors for all reflections included in the refinement | 0.1569 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178590 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/01. |
4070143.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4070143.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070143.cif |
| 40611 | 2012-03-08 | ../uploads/cif-deposit/cod/cif Adding structures of 4070143 via cif-deposit CGI script. |
4070143.cif |
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