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Information card for entry 4086045
Preview
| Coordinates | 4086045.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C55.5 H57 Cl2 P2 Rh |
|---|---|
| Calculated formula | C55.5 H57 Cl2 P2 Rh |
| Title of publication | Different Coordination Modes of the Ph2PCsp3PPh2Pincer Ligand in Rhodium Complexes as a Consequence of Csp3–H Metal Interaction |
| Authors of publication | Arras, Janet; Speth, Hansjörg; Mayer, Hermann A.; Wesemann, Lars |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 14 |
| Pages of publication | 3629 |
| a | 11.179 ± 0.0003 Å |
| b | 12.6005 ± 0.0004 Å |
| c | 17.9554 ± 0.0005 Å |
| α | 95.003 ± 0.001° |
| β | 93.959 ± 0.001° |
| γ | 112.534 ± 0.001° |
| Cell volume | 2312.74 ± 0.12 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4086045.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4086045.cif |
| 152902 | 2015-08-05 | cif/ Updating files of 4086045, 4086046, 4086047, 4086048, 4086049, 4086050 Original log message: Adding full bibliography for 4086045--4086050.cif. |
4086045.cif |
| 141538 | 2015-07-10 | cif/ Adding structures of 4086045, 4086046, 4086047, 4086048, 4086049, 4086050 via cif-deposit CGI script. |
4086045.cif |
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Users of the data should acknowledge the original authors of the
structural data.