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Information card for entry 4063349
Preview
| Coordinates | 4063349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H49 B F24 P2 Ru |
|---|---|
| Calculated formula | C72 H49 B F24 P2 Ru |
| SMILES | [Ru]12345([P](c6ccccc6)(c6ccccc6)CC[P]1(c1ccccc1)c1ccccc1)(=C=C(C)c1ccccc1)[cH]1[cH]5[cH]4[cH]3[cH]21.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[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 |
| Title of publication | Reversibility of Disubstituted Vinylidene - Internal Alkyne Isomerization at Cationic Ruthenium and Iron Complexes |
| Authors of publication | Mutoh, Yuichiro; Imai, Kohei; Kimura, Yusuke; Ikeda, Yousuke; Ishii, Youichi |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 2 |
| Pages of publication | 204 - 207 |
| a | 12.697 ± 0.003 Å |
| b | 16.784 ± 0.004 Å |
| c | 15.897 ± 0.004 Å |
| α | 90° |
| β | 91.2 ± 0.003° |
| γ | 90° |
| Cell volume | 3387 ± 1.4 Å3 |
| Cell temperature | 123.1 K |
| Ambient diffraction temperature | 123.1 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0505 |
| Weighted residual factors for all reflections included in the refinement | 0.1119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4063349.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063349.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063349.cif |
| 18119 | 2011-04-27 | cif/4/ Correcting publication year in 8 recently deposited structures. |
4063349.cif |
| 17009 | 2011-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4063349, 4063350, 4063351, 4063352, 4063353, 4063354, 4063355, 4063356 via cif-deposit CGI script. |
4063349.cif |
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Users of the data should acknowledge the original authors of the
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