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Information card for entry 4077566
Preview
| Coordinates | 4077566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H37 F6 P2 Rh |
|---|---|
| Calculated formula | C22 H37 F6 P2 Rh |
| SMILES | [Rh]1234567([P](CC[c]81[cH]6[cH]5[cH]4[cH]3[cH]28)(C(C)C)C(C)C)[CH]1=[CH]7CCCCCC1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Half-Sandwich Type Rhodium(I) Complexes with Arenes and Functionalized Arenes C6H5X(CH2)nPR2(R =iPr,tBu) as Nonchelating and Chelating Ligands |
| Authors of publication | Werner, Helmut; Canepa, Giuseppe; Ilg, Kerstin; Wolf, Justin |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 23 |
| Pages of publication | 4756 |
| a | 13.4032 ± 0.0013 Å |
| b | 9.9449 ± 0.0013 Å |
| c | 18.9743 ± 0.0019 Å |
| α | 90° |
| β | 99.895 ± 0.012° |
| γ | 90° |
| Cell volume | 2491.5 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0465 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.101 |
| Weighted residual factors for all reflections included in the refinement | 0.1052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4077566.cif |
| 178664 | 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 4/07/75. |
4077566.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077566.cif |
| 54628 | 2012-04-28 | cif/ Adding structures of 4077566, 4077567, 4077568 via cif-deposit CGI script. |
4077566.cif |
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Users of the data should acknowledge the original authors of the
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