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Information card for entry 4308976
Preview
| Coordinates | 4308976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | trans-Bis(4-(isopropylimino)pent-2-en-2-olato(1-))- tetra(thiocyanato-N)silicon(IV) |
|---|---|
| Chemical name | trans-Bis[4-(isopropylimino)pent-2-en-2-olato(1-)]- tetra(thiocyanato-N)silicon(IV) |
| Formula | C20 H30 N6 O2 S4 Si |
| Calculated formula | C20 H30 N6 O2 S4 Si |
| SMILES | [O](=C(/C=C(\NC(C)C)C)C)[Si](N=C=S)([O]=C(/C=C(\NC(C)C)C)C)(N=C=S)(N=C=S)N=C=S |
| Title of publication | Synthesis and Structural Characterization of Novel Neutral Hexacoordinate Silicon(IV) Complexes with SiO2N4 Skeletons Containing Cyanato-N or Thiocyanato-N Ligands |
| Authors of publication | Oliver Seiler; Christian Burschka; Markus Fischer; Martin Penka; Reinhold Tacke |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 2337 - 2346 |
| a | 9.5949 ± 0.0013 Å |
| b | 10.7216 ± 0.0014 Å |
| c | 13.339 ± 0.002 Å |
| α | 90° |
| β | 100.57 ± 0.017° |
| γ | 90° |
| Cell volume | 1348.9 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0656 |
| Weighted residual factors for all reflections included in the refinement | 0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.916 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4308976.cif |
| 179127 | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/89. |
4308976.cif |
| 120081 | 2014-07-11 | Adding DOIs to range 4/30 structures. | 4308976.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308976.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4308976.cif |
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Users of the data should acknowledge the original authors of the
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