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Information card for entry 4078314
Preview
| Coordinates | 4078314.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H36 Br N4 Rh |
|---|---|
| Calculated formula | C30 H36 Br N4 Rh |
| SMILES | [Rh]123(Br)(=C4N(c5nc6nc(cc(c6cc5)C)C)C=CN4C(C)C)[CH]4=[CH]3CC[CH]2=[CH]1CC4.c1ccccc1 |
| Title of publication | Bifunctional Water Activation for Catalytic Hydration of Organonitriles |
| Authors of publication | Daw, Prosenjit; Sinha, Arup; Rahaman, S. M. Wahidur; Dinda, Shrabani; Bera, Jitendra K. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 9 |
| Pages of publication | 3790 - 3797 |
| a | 11.64 ± 0.002 Å |
| b | 13.661 ± 0.002 Å |
| c | 17.73 ± 0.003 Å |
| α | 90.036 ± 0.003° |
| β | 97.222 ± 0.003° |
| γ | 91.916 ± 0.003° |
| Cell volume | 2795.4 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0735 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1347 |
| Weighted residual factors for all reflections included in the refinement | 0.1471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218788 (current) | 2019-09-24 | cif/4/ Updated bibliographic information in entries 4078314, 4083283. |
4078314.cif |
| 178672 | 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 4/07/83. |
4078314.cif |
| 103932 | 2014-03-08 | cif/4 Fixing Z values and formulae for several entries |
4078314.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4078314.cif |
| 59892 | 2012-06-14 | cif/ Adding structures of 4078314 via cif-deposit CGI script. |
4078314.cif |
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Users of the data should acknowledge the original authors of the
structural data.