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Information card for entry 4071913
Preview
| Coordinates | 4071913.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H26 N4 |
|---|---|
| Calculated formula | C32 H26 N4 |
| SMILES | N12[C@H]3C4c5c(cccc5)C(c5ccccc45)[C@@H]3N3C(N(c4c3cccc4)C)=C1N(c1c2cccc1)C.N12[C@@H]3C4c5c(cccc5)C(c5ccccc45)[C@H]3N3C(N(c4c3cccc4)C)=C1N(c1c2cccc1)C |
| Title of publication | New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis |
| Authors of publication | Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5184 - 5195 |
| a | 10.5224 ± 0.0007 Å |
| b | 38.633 ± 0.003 Å |
| c | 11.9173 ± 0.0007 Å |
| α | 90° |
| β | 102.497 ± 0.001° |
| γ | 90° |
| Cell volume | 4729.7 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0695 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.1028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210315 (current) | 2018-09-01 | cif/4/ Updating bibliography in entries 4071913-4071918, 4083505. Marking entry 4083505 as a duplicate of entry 4071913. |
4071913.cif |
| 178608 | 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 4/07/19. |
4071913.cif |
| 103932 | 2014-03-08 | cif/4 Fixing Z values and formulae for several entries |
4071913.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071913.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071913.cif |
| 44113 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071913 via cif-deposit CGI script. |
4071913.cif |
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Users of the data should acknowledge the original authors of the
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