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Information card for entry 4065571
Preview
| Coordinates | 4065571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H60 B F24 N2 Rh S |
|---|---|
| Calculated formula | C76 H60 B F24 N2 Rh S |
| SMILES | [Rh]12345(Sc6c(cccc6c6c(cc(cc6C)C)C)c6c(cc(cc6C)C)C)([n]6ccccc6c6[n]1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.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 | Synthesis and Reactions of Coordinatively Unsaturated Half-Sandwich Rhodium and Iridium Complexes Having a 2,6-Dimesitylbenzenethiolate Ligand |
| Authors of publication | Sakamoto, Mayumi; Ohki, Yasuhiro; Tatsumi, Kazuyuki |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 7 |
| Pages of publication | 1761 |
| a | 14.345 ± 0.004 Å |
| b | 15.473 ± 0.004 Å |
| c | 17.581 ± 0.005 Å |
| α | 102.956 ± 0.002° |
| β | 110.459 ± 0.004° |
| γ | 91.609 ± 0.003° |
| Cell volume | 3538.8 ± 1.7 Å3 |
| Cell temperature | 173.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for all reflections included in the refinement | 0.1732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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. |
4065571.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065571.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065571.cif |
| 33607 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065569, 4065570, 4065571, 4065572, 4065573, 4065574, 4065575, 4065576, 4065577, 4065578 via cif-deposit CGI script. |
4065571.cif |
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Users of the data should acknowledge the original authors of the
structural data.