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Information card for entry 4065597
Preview
| Coordinates | 4065597.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H33 F6 Ir N2 O9 S2 |
|---|---|
| Calculated formula | C19 H33 F6 Ir N2 O9 S2 |
| SMILES | [Ir]1234([OH2])([OH2])([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)=C1N(C(=C(N1C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O |
| Title of publication | Effect of Ancillary Ligands and Solvents on H/D Exchange Reactions Catalyzed by Cp*Ir Complexes |
| Authors of publication | Feng, Yuee; Jiang, Bi; Boyle, Paul A.; Ison, Elon A. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 13 |
| Pages of publication | 2857 |
| a | 12.4934 ± 0.0007 Å |
| b | 14.2746 ± 0.0006 Å |
| c | 16.3037 ± 0.0007 Å |
| α | 89.626 ± 0.002° |
| β | 88.616 ± 0.003° |
| γ | 80.801 ± 0.003° |
| Cell volume | 2869.3 ± 0.2 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 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 all reflections | 0.1065 |
| Residual factor for significantly intense reflections | 0.0715 |
| Weighted residual factors for significantly intense reflections | 0.2035 |
| Weighted residual factors for all reflections included in the refinement | 0.2349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178548 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/55. |
4065597.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4065597.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4065597.cif |
| 33617 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4065596, 4065597, 4065598, 4065599, 4065600 via cif-deposit CGI script. |
4065597.cif |
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Users of the data should acknowledge the original authors of the
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