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Information card for entry 4071328
Preview
| Coordinates | 4071328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H37 I3 N7 Rh |
|---|---|
| Calculated formula | C23 H37 I3 N7 Rh |
| SMILES | c12cn(c(C)[n+]1Cn1c(c[n+](c1C)CCCC)[Rh]2(I)(I)([N]#CC)[N]#CC)CCCC.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 | 9.8916 ± 0.0007 Å |
| b | 11.2101 ± 0.0007 Å |
| c | 15.4797 ± 0.001 Å |
| α | 105.961 ± 0.005° |
| β | 95.541 ± 0.005° |
| γ | 103.501 ± 0.005° |
| Cell volume | 1580.8 ± 0.19 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 | 0.0314 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0584 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
4071328.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071328.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071328.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. |
4071328.cif |
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Users of the data should acknowledge the original authors of the
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