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Information card for entry 4308981
Preview
| Coordinates | 4308981.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (OC-6-2'2)-(4,4'-(Ethane-1,2-diyldinitrilo)bis(pent-2-en-2- olato(1-)-N,N',O,O')-di(thiocyanato-N)silicon(IV) |
|---|---|
| Chemical name | (OC-6-2'2)-{4,4'-(Ethane-1,2-diyldinitrilo)bis[pent-2-en-2-olato(1-)- N,N',O,O']-di(thiocyanato-N)silicon(IV) |
| Formula | C14 H18 N4 O2 S2 Si |
| Calculated formula | C14 H18 N4 O2 S2 Si |
| SMILES | [Si]123(OC(=CC(C)=[N]2CC[N]3=C(C=C(O1)C)C)C)(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 | 13.554 ± 0.003 Å |
| b | 8.711 ± 0.0017 Å |
| c | 8.7748 ± 0.0018 Å |
| α | 90° |
| β | 121.99 ± 0.03° |
| γ | 90° |
| Cell volume | 878.7 ± 0.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179127 (current) | 2016-03-23 | 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. |
4308981.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308981.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308981.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). |
4308981.cif |
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Users of the data should acknowledge the original authors of the
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