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Information card for entry 1532500
Preview
| Coordinates | 1532500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H72 B F24 I P3 Pd |
|---|---|
| Calculated formula | C68 H72 B F24 I P3 Pd |
| SMILES | [Pd]12(C(c3ccc(cc3[P]1(C(C)C)C(C)C)C(C)(C)C)(c1ccc(cc1[P]2(C(C)C)C(C)C)C(C)(C)C)[P+](C)(C)C)I.FC(F)(F)c1cc([B-](c2cc(cc(c2)C(F)(F)F)C(F)(F)F)(c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)cc(c1)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 | 10.0901 ± 0.0007 Å |
| b | 23.7955 ± 0.0017 Å |
| c | 31.205 ± 0.002 Å |
| α | 90° |
| β | 90.532 ± 0.002° |
| γ | 90° |
| Cell volume | 7492 ± 0.9 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0658 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1651 |
| Weighted residual factors for all reflections included in the refinement | 0.1675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
1532500.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. |
1532500.cif |
| 158407 | 2015-09-26 | cif/ Adding structures of 1532495, 1532496, 1532497, 1532498, 1532499, 1532500, 1532501, 1532502 via cif-deposit CGI script. |
1532500.cif |
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Users of the data should acknowledge the original authors of the
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