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Information card for entry 4103527
Preview
| Coordinates | 4103527.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | jonme12 |
|---|---|
| Formula | C20 H30 N O0.5 P Rh |
| Calculated formula | C20 H30 N O0.5 P Rh |
| Title of publication | C-H vs C-C Bond Activation of Acetonitrile and Benzonitrile via Oxidative Addition: Rhodium vs Nickel and Cp* vs Tp' (Tp' = Hydrotris(3,5-dimethylpyrazol-1-yl)borate, Cp* = η5-Pentamethylcyclopentadienyl) |
| Authors of publication | Meagan E. Evans; Ting Li; William D. Jones |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 16278 - 16284 |
| a | 8.1053 ± 0.0013 Å |
| b | 8.7271 ± 0.0013 Å |
| c | 15.88 ± 0.002 Å |
| α | 89.287 ± 0.003° |
| β | 76.682 ± 0.003° |
| γ | 67.204 ± 0.003° |
| Cell volume | 1004 ± 0.3 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4103527.cif |
| 178781 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/35. |
4103527.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4103527.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4103527.cif |
| 26511 | 2011-09-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4103527 via cif-deposit CGI script. |
4103527.cif |
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Users of the data should acknowledge the original authors of the
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