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Information card for entry 7036753
Preview
| Coordinates | 7036753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,3-bis(2,6-diisopropylphenyl)-2-(4-methylphenyl)-3-aza-1λ3-phosphapropene chromium pentacarbonyl complex |
|---|---|
| Chemical name | (aZ)-N-[2,6-bis(1-methylethyl)phenyl]-a-[[2,6-bis(1-methylethyl)phenyl] phosphinidene]-4-methyl-benzenemethanamine chromium pentacarbonyl complex |
| Formula | C37 H42 Cr N O5 P |
| Calculated formula | C37 H42 Cr N O5 P |
| SMILES | [Cr](/[P](=C(Nc1c(C(C)C)cccc1C(C)C)\c1ccc(C)cc1)c1c(C(C)C)cccc1C(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Metal carbonyl complexes of phosphaamidines. Coordinative integrity detected in C-amino(λ(3),σ(2))-phosphaalkene isomers coordinated through n(P) HOMO-1 donor orbitals. |
| Authors of publication | Masuda, Jason D.; Boeré, René T |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 2102 - 2115 |
| a | 10.4722 ± 0.0008 Å |
| b | 12.1314 ± 0.0011 Å |
| c | 14.765 ± 0.0013 Å |
| α | 84.6 ± 0.011° |
| β | 79.559 ± 0.01° |
| γ | 71.687 ± 0.01° |
| Cell volume | 1749.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0635 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.09 |
| Weighted residual factors for all reflections included in the refinement | 0.0978 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176067 (current) | 2016-02-05 | cif/ Updating files of 7036752, 7036753, 7036754, 7036755, 7036756 Original log message: Adding full bibliography for 7036752--7036756.cif. |
7036753.cif |
| 160419 | 2015-10-06 | cif/ Adding structures of 7036752, 7036753, 7036754, 7036755, 7036756 via cif-deposit CGI script. |
7036753.cif |
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Users of the data should acknowledge the original authors of the
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