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Information card for entry 4308978
Preview
| Coordinates | 4308978.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (OC-6-12)-Di(cyanato-N)bis(4-(phenylimino)pent-2-en-2-olato(1- )-N,O)silicon(IV) |
|---|---|
| Chemical name | (OC-6-12)-Di(cyanato-N)bis[4-(phenylimino)pent-2-en-2-olato(1-)-N,O]silicon(IV) |
| Formula | C24 H24 N4 O4 Si |
| Calculated formula | C24 H24 N4 O4 Si |
| SMILES | C(=N[Si]12([N](=C(C=C(C)O1)C)c1ccccc1)(N=C=O)[N](=C(C=C(C)O2)C)c1ccccc1)=O |
| 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 | 7.8647 ± 0.0011 Å |
| b | 8.9206 ± 0.0013 Å |
| c | 9.0668 ± 0.0013 Å |
| α | 80.584 ± 0.017° |
| β | 89.652 ± 0.017° |
| γ | 64.888 ± 0.016° |
| Cell volume | 566.79 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0384 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
4308978.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308978.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308978.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). |
4308978.cif |
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