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Information card for entry 4066720
Preview
| Coordinates | 4066720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H42 Cl2 F6 N6 P Rh |
|---|---|
| Calculated formula | C33 H42 Cl2 F6 N6 P Rh |
| SMILES | [Rh]1234([CH]5=[CH]1CC[CH]2=[CH]3CC5)=C1N(C=NN1c1ccc(cc1)C(C)C)CCN1C=4N(N=C1)c1ccc(cc1)C(C)C.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl |
| Title of publication | Impact of Ligand Modification on Structures and Catalytic Activities of Chelating Bis-Carbene Rhodium(I) Complexes† |
| Authors of publication | Riederer, Stephanie K. U.; Gigler, Peter; Högerl, Manuel P.; Herdtweck, Eberhardt; Bechlars, Bettina; Herrmann, Wolfgang A.; Kühn, Fritz E. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 21 |
| Pages of publication | 5681 |
| a | 24.7222 ± 0.001 Å |
| b | 9.4517 ± 0.0004 Å |
| c | 33.5718 ± 0.0013 Å |
| α | 90° |
| β | 109.922 ± 0.002° |
| γ | 90° |
| Cell volume | 7375.2 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0631 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1408 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178559 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/67. |
4066720.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4066720.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4066720.cif |
| 33969 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4066716, 4066717, 4066718, 4066719, 4066720, 4066721, 4066722, 4066723, 4066724, 4066725, 4066726, 4066727 via cif-deposit CGI script. |
4066720.cif |
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