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Information card for entry 4079797
Preview
| Coordinates | 4079797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | UMCB0009_AH_I_201 |
|---|---|
| Formula | C44 H54 I2 N4 Rh2 |
| Calculated formula | C44 H54 I2 N4 Rh2 |
| SMILES | I[Rh]123(=C4N(CCCC)c5c(N4c4cccc(N6c7ccccc7N(C6=[Rh]678(I)[CH]9CC[CH]7=[CH]6CC[CH]8=9)CCCC)c4)cccc5)[CH]4=[CH]1CC[CH]3=[CH]2CC4 |
| Title of publication | Synthesis and Characterization of a 1,3-Phenylene-Bridged N-Alkyl Bis(benzimidazole) CCC-NHC Pincer Ligand Precursor: Homobimetallic Silver and Rhodium Complexes and the Catalytic Hydrosilylation of Phenylacetylene |
| Authors of publication | Huckaba, Aron J.; Hollis, T. Keith; Howell, Tyler O.; Valle, Henry U.; Wu, Yunshan |
| Journal of publication | Organometallics |
| Year of publication | 2013 |
| Journal volume | 32 |
| Journal issue | 1 |
| Pages of publication | 63 |
| a | 8.4719 ± 0.0003 Å |
| b | 17.0771 ± 0.0005 Å |
| c | 14.8339 ± 0.0005 Å |
| α | 90° |
| β | 103.558 ± 0.002° |
| γ | 90° |
| Cell volume | 2086.3 ± 0.12 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 99.65 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.03473 |
| Residual factor for significantly intense reflections | 0.03224 |
| Weighted residual factors for all reflections included in the refinement | 0.081171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01149 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178686 (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 4/07/97. |
4079797.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4079797.cif |
| 74063 | 2013-02-21 | cif/ Adding structures of 4079797 via cif-deposit CGI script. |
4079797.cif |
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