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Information card for entry 4071179
Preview
| Coordinates | 4071179.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H32 I2 N6 Rh2 |
|---|---|
| Calculated formula | C22 H32 I2 N6 Rh2 |
| SMILES | [Rh]123(I)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C1N(N2C(=[Rh]345(I)[CH]6=[CH]3CC[CH]4=[CH]5CC6)N(N=C2)C)C=NN1C |
| Title of publication | A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium |
| Authors of publication | Poyatos, Macarena; McNamara, William; Incarvito, Chris; Clot, Eric; Peris, Eduardo; Crabtree, Robert H. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 9 |
| Pages of publication | 2128 |
| a | 8.7286 ± 0.0017 Å |
| b | 12.243 ± 0.002 Å |
| c | 13.855 ± 0.003 Å |
| α | 103.63 ± 0.03° |
| β | 100.11 ± 0.03° |
| γ | 105.71 ± 0.03° |
| Cell volume | 1339.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0438 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0715 |
| Weighted residual factors for all reflections included in the refinement | 0.0758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178600 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/11. |
4071179.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071179.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071179.cif |
| 43091 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071179 via cif-deposit CGI script. |
4071179.cif |
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Users of the data should acknowledge the original authors of the
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