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Information card for entry 1532496
Preview
| Coordinates | 1532496.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C65 H64 B F24 I P2 Pd |
|---|---|
| Calculated formula | C65 H64 B F24.009 I P2 Pd |
| SMILES | I[Pd]12=C(c3c([P]1(C(C)C)C(C)C)cc(C(C)(C)C)cc3)c1c([P]2(C(C)C)C(C)C)cc(cc1)C(C)(C)C.FC(F)(F)c1cc(cc(c1)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F |
| Title of publication | Redox-induced umpolung of transition metal carbenes |
| Authors of publication | Cui, Peng; Iluc, Vlad M. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 7343 |
| a | 14.0602 ± 0.0006 Å |
| b | 28.6171 ± 0.0012 Å |
| c | 16.9031 ± 0.0007 Å |
| α | 90° |
| β | 92.0331 ± 0.0016° |
| γ | 90° |
| Cell volume | 6796.9 ± 0.5 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0725 |
| Weighted residual factors for all reflections included in the refinement | 0.0763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
1532496.cif |
| 170971 | 2015-12-09 | cif/ Updating files of 1532495, 1532496, 1532497, 1532498, 1532499, 1532500, 1532501, 1532502 Original log message: Adding full bibliography for 1532495--1532502.cif. |
1532496.cif |
| 158407 | 2015-09-26 | cif/ Adding structures of 1532495, 1532496, 1532497, 1532498, 1532499, 1532500, 1532501, 1532502 via cif-deposit CGI script. |
1532496.cif |
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Users of the data should acknowledge the original authors of the
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