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Information card for entry 7036127
Preview
| Coordinates | 7036127.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | bicyclo[2.2.1]hepta-2,5-diene{N-2,6-diisopropylphenyl(pentafluorophenyl)amidato}tricyclohexylphosphine rhodium(I) |
|---|---|
| Formula | C45.5 H61.5 F5 N O P Rh |
| Calculated formula | C45.5 H61.5 F5 N O P Rh |
| Title of publication | Isocyanate deinsertion from κ(1)-O amidates: facile access to perfluoroaryl rhodium(i) complexes. |
| Authors of publication | Drover, Marcus W.; Schafer, Laurel L.; Love, Jennifer A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 45 |
| Pages of publication | 19487 - 19493 |
| a | 9.9058 ± 0.0008 Å |
| b | 21.0289 ± 0.0017 Å |
| c | 21.6355 ± 0.0016 Å |
| α | 102.878 ± 0.003° |
| β | 99.532 ± 0.003° |
| γ | 90.372 ± 0.003° |
| Cell volume | 4328.4 ± 0.6 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0798 |
| Residual factor for significantly intense reflections | 0.0528 |
| Weighted residual factors for significantly intense reflections | 0.1349 |
| Weighted residual factors for all reflections included in the refinement | 0.1457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7036127.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. |
7036127.cif |
| 171158 | 2015-12-09 | cif/ Updating files of 7036126, 7036127, 7036128, 7036129 Original log message: Adding full bibliography for 7036126--7036129.cif. |
7036127.cif |
| 153329 | 2015-08-11 | cif/ Adding structures of 7036126, 7036127, 7036128, 7036129 via cif-deposit CGI script. |
7036127.cif |
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Users of the data should acknowledge the original authors of the
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