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Information card for entry 4071329
Preview
| Coordinates | 4071329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H47 I3 N9 Rh |
|---|---|
| Calculated formula | C37 H47 I3 N9 Rh |
| SMILES | c12cn(c(c3ccccc3)[n+]1Cn1c(c3ccccc3)[n+](cc1[Rh]2([N]#CC)([N]#CC)(I)I)CCCC)CCCC.C(#N)C.C(#N)C.C(#N)C.[I-] |
| Title of publication | Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation |
| Authors of publication | Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 13 |
| Pages of publication | 3161 |
| a | 12.2798 ± 0.0008 Å |
| b | 14.1168 ± 0.0009 Å |
| c | 15.6034 ± 0.0011 Å |
| α | 62.889 ± 0.005° |
| β | 66.075 ± 0.005° |
| γ | 79.759 ± 0.005° |
| Cell volume | 2200.7 ± 0.3 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 | 0.0293 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178602 (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 4/07/13. |
4071329.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071329.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071329.cif |
| 43156 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071327, 4071328, 4071329, 4071330, 4071331, 4071332, 4071333, 4071334 via cif-deposit CGI script. |
4071329.cif |
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Users of the data should acknowledge the original authors of the
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