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Information card for entry 4078916
Preview
| Coordinates | 4078916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H38 F8 N2 P2 Pd2 |
|---|---|
| Calculated formula | C46 H38 F8 N2 P2 Pd2 |
| Title of publication | Preparation, Structure, and Reactivity of Dipalladium(I) Complexes Containing the Carbanion 2-C6F4PPh2: Coexistence of Distinct, Noninterconverting Head-to-Head [Dipalladium(0/II)] and Head-to-Tail [Dipalladium(I)] Species |
| Authors of publication | Bhargava, Suresh K.; Privér, Steven H.; Willis, Anthony C.; Bennett, Martin A. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 15 |
| Pages of publication | 5561 |
| a | 12.2048 ± 0.0002 Å |
| b | 12.2048 ± 0.0002 Å |
| c | 30.1528 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4491.47 ± 0.12 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 6 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0268 |
| Residual factor for significantly intense reflections | 0.0204 |
| Weighted residual factors for all reflections | 0.0537 |
| Weighted residual factors for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections included in the refinement | 0.0537 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178678 (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 4/07/89. |
4078916.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078916.cif |
| 66443 | 2012-09-09 | cif/ Adding structures of 4078913, 4078914, 4078915, 4078916, 4078917, 4078918, 4078919, 4078920, 4078921, 4078922, 4078923 via cif-deposit CGI script. |
4078916.cif |
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Users of the data should acknowledge the original authors of the
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