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Information card for entry 7035973
Preview
| Coordinates | 7035973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | trans-[PdCl2{iPr2P(CF=CFCF3)}2] |
|---|---|
| Formula | C18 H28 Cl2 F10 P2 Pd |
| Calculated formula | C18 H28 Cl2 F10 P2 Pd |
| SMILES | [Pd]([P](C(C)C)(C(C)C)C(=C(C(F)(F)F)\F)\F)([P](C(C)C)(C(C)C)/C(=C(\C(F)(F)F)F)F)(Cl)Cl |
| Title of publication | Perfluoropropenyl-containing phosphines from HFC replacements. |
| Authors of publication | Brisdon, Alan K.; Ali Ghaba, Hana; Beutel, Bernd; Egjandi, Amina; Addaraidi, Arij; Pritchard, Robin G. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 45 |
| Pages of publication | 19717 - 19731 |
| a | 8.147 ± 0.004 Å |
| b | 8.856 ± 0.004 Å |
| c | 9.608 ± 0.004 Å |
| α | 77.301 ± 0.009° |
| β | 77.16 ± 0.007° |
| γ | 75.285 ± 0.008° |
| Cell volume | 643.8 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.102 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.1294 |
| Weighted residual factors for all reflections included in the refinement | 0.1443 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.878 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035973.cif |
| 171173 | 2015-12-09 | cif/ Updating files of 7035966, 7035967, 7035968, 7035969, 7035970, 7035971, 7035972, 7035973 Original log message: Adding full bibliography for 7035966--7035973.cif. |
7035973.cif |
| 152575 | 2015-07-28 | cif/ Adding structures of 7035966, 7035967, 7035968, 7035969, 7035970, 7035971, 7035972, 7035973 via cif-deposit CGI script. |
7035973.cif |
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Users of the data should acknowledge the original authors of the
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