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Information card for entry 4086927
Preview
| Coordinates | 4086927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | sjfbk30 |
|---|---|
| Formula | C14 H17 Cl N2 O4 Si |
| Calculated formula | C14 H17 Cl N2 O4 Si |
| Title of publication | Neutral and Cationic Bis-Chelate Monoorganosilicon(IV) Complexes of 1-Hydroxy-2-pyridinone |
| Authors of publication | Koch, James G.; Brennessel, William W.; Kraft, Bradley M. |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| Journal volume | 36 |
| Journal issue | 3 |
| Pages of publication | 594 |
| a | 21.883 ± 0.0015 Å |
| b | 12.662 ± 0.0008 Å |
| c | 12.8534 ± 0.0009 Å |
| α | 90° |
| β | 115.935 ± 0.0012° |
| γ | 90° |
| Cell volume | 3202.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.5 K |
| Ambient diffraction temperature | 100 ± 0.5 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0892 |
| Residual factor for significantly intense reflections | 0.0493 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| 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. |
4086927.cif |
| 193616 | 2017-03-04 | cif/ Updating files of 4086922, 4086923, 4086924, 4086925, 4086926, 4086927, 4086928, 4086929, 4086930, 4086931 Original log message: Adding full bibliography for 4086922--4086931.cif. |
4086927.cif |
| 190470 | 2017-01-14 | cif/ Adding structures of 4086922, 4086923, 4086924, 4086925, 4086926, 4086927, 4086928, 4086929, 4086930, 4086931 via cif-deposit CGI script. |
4086927.cif |
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Users of the data should acknowledge the original authors of the
structural data.