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Information card for entry 7052680
Preview
| Coordinates | 7052680.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H39 B F24 N7 Rh |
|---|---|
| Calculated formula | C56 H39 B F24 N7 Rh |
| Title of publication | Rhodium(i) complexes bearing N-donor ligands: catalytic activity towards intramolecular cyclization of alkynoic acids and ligand lability |
| Authors of publication | Man, Bradley Y.-W.; Bhadbhade, Mohan; Messerle, Barbara A. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 8 |
| Pages of publication | 1730 |
| a | 19.3288 ± 0.0006 Å |
| b | 16.2023 ± 0.0005 Å |
| c | 17.9993 ± 0.0006 Å |
| α | 90° |
| β | 100.6 ± 0.002° |
| γ | 90° |
| Cell volume | 5540.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1302 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052680.cif |
| 180080 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26. |
7052680.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052680.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052680.cif |
| 23725 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7052677, 7052678, 7052679, 7052680, 7052681, 7052682, 7052683, 7052684 via cif-deposit CGI script. |
7052680.cif |
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Users of the data should acknowledge the original authors of the
structural data.