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Information card for entry 4071917
Preview
| Coordinates | 4071917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33.5 H25.5 Cl12.5 N4 |
|---|---|
| Calculated formula | C30 H24 Cl2 N4 |
| SMILES | [Cl-].[nH+]1cn([C@@H]2C3c4ccccc4C(c4c3cccc4)[C@H]2n2c[nH+]c3ccccc23)c2c1cccc2.[Cl-].[Cl-].[nH+]1cn([C@H]2C3c4ccccc4C(c4c3cccc4)[C@@H]2n2c[nH+]c3ccccc23)c2c1cccc2.[Cl-] |
| 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 | 39.343 ± 0.005 Å |
| b | 11.5742 ± 0.0016 Å |
| c | 20.189 ± 0.003 Å |
| α | 90° |
| β | 111.91 ± 0.003° |
| γ | 90° |
| Cell volume | 8529 ± 2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1186 |
| Residual factor for significantly intense reflections | 0.0827 |
| Weighted residual factors for significantly intense reflections | 0.2146 |
| Weighted residual factors for all reflections included in the refinement | 0.2319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.953 |
| 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. |
4071917.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4071917.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071917.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071917.cif |
| 44117 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071917 via cif-deposit CGI script. |
4071917.cif |
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Users of the data should acknowledge the original authors of the
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