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Information card for entry 4121707
Preview
| Coordinates | 4121707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H78 B F24 Ni P2 |
|---|---|
| Calculated formula | C75 H78 B F24 Ni P2 |
| SMILES | [Ni]123[P](CC[P](C(C)(C)C)(C3c3c([C]41C(=CC(=C[C]2=4C)C)C)cccc3c1c(cc(C)cc1C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C.FC(F)(F)c1cc(cc(C(F)(F)F)c1)[B-](c1cc(cc(C(F)(F)F)c1)C(F)(F)F)(c1cc(cc(C(F)(F)F)c1)C(F)(F)F)c1cc(C(F)(F)F)cc(c1)C(F)(F)F |
| Title of publication | Three-coordinate nickel carbene complexes and their one-electron oxidation products. |
| Authors of publication | Iluc, Vlad M.; Hillhouse, Gregory L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 17 |
| Pages of publication | 6479 - 6488 |
| a | 12.7248 ± 0.0017 Å |
| b | 14.8784 ± 0.0019 Å |
| c | 39.541 ± 0.005 Å |
| α | 90° |
| β | 93.228 ± 0.003° |
| γ | 90° |
| Cell volume | 7474.2 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0768 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1134 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.915 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179019 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/17. |
4121707.cif |
| 112742 | 2014-05-04 | cif/ Updating files of 4121705, 4121706, 4121707, 4121708, 4121709 Original log message: Adding full bibliography for 4121705--4121709.cif. |
4121707.cif |
| 110795 | 2014-04-20 | cif/ Adding structures of 4121705, 4121706, 4121707, 4121708, 4121709 via cif-deposit CGI script. |
4121707.cif |
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