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Information card for entry 7036752
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| Coordinates | 7036752.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1,3-bis(2,6-diisopropylphenyl)-2-(4-methoxypphenyl)-3-aza-1λ3-phosphapropene |
|---|---|
| Chemical name | (aZ)-N-[2,6-bis(1-methylethyl)phenyl]-a-[[2,6-bis(1-methylethyl)phenyl] phosphinidene]-4-methoxy-benzenemethanamine chromium pentacarbonyl complex |
| Formula | C32 H42 N O P |
| Calculated formula | C32 H42 N O P |
| SMILES | P(=C(Nc1c(C(C)C)cccc1C(C)C)c1ccc(OC)cc1)c1c(C(C)C)cccc1C(C)C |
| 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 | 18.1914 ± 0.0016 Å |
| b | 10.1898 ± 0.0005 Å |
| c | 18.108 ± 0.0012 Å |
| α | 90° |
| β | 117.319 ± 0.009° |
| γ | 90° |
| Cell volume | 2982.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1097 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.843 |
| 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. |
7036752.cif |
| 160419 | 2015-10-06 | cif/ Adding structures of 7036752, 7036753, 7036754, 7036755, 7036756 via cif-deposit CGI script. |
7036752.cif |
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Users of the data should acknowledge the original authors of the
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