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Information card for entry 4083121
Preview
| Coordinates | 4083121.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Integration of Woo34 |
|---|---|
| Formula | C65 H69 N6 O2 Rh |
| Calculated formula | C65 H69 N6 O2 Rh |
| SMILES | [Rh]123(=C4N(C)C=CN4CCCC)(C)[n]4c5=C(c6ccc(C(=c7ccc(C(=c8ccc(=C(c4cc5)c4ccc(C)cc4)n18)c1ccc(C)cc1)[n]37)c1ccc(C)cc1)n26)c1ccc(C)cc1.C1CCCO1.C1CCCO1 |
| Title of publication | Comparative Study of Rhodium and Iridium Porphyrin Diaminocarbene and N-Heterocyclic Carbene Complexes |
| Authors of publication | Anding, Bernie J.; Ellern, Arkady; Woo, L. Keith |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 9 |
| Pages of publication | 2219 |
| a | 9.9009 ± 0.0007 Å |
| b | 16.5931 ± 0.0011 Å |
| c | 18.1728 ± 0.0012 Å |
| α | 107.244 ± 0.001° |
| β | 96.995 ± 0.001° |
| γ | 90.062 ± 0.001° |
| Cell volume | 2827.9 ± 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 | 0.0854 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1764 |
| Weighted residual factors for all reflections included in the refinement | 0.1934 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178720 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/31. |
4083121.cif |
| 115897 | 2014-06-05 | cif/ Updating files of 4083118, 4083119, 4083120, 4083121, 4083122 Original log message: Adding full bibliography for 4083118--4083122.cif. |
4083121.cif |
| 112408 | 2014-05-01 | cif/ Adding structures of 4083118, 4083119, 4083120, 4083121, 4083122 via cif-deposit CGI script. |
4083121.cif |
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Users of the data should acknowledge the original authors of the
structural data.