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Information card for entry 4075681
Preview
| Coordinates | 4075681.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (Salme*)(Salme*-H)SiPh |
|---|---|
| Chemical name | (N,O)-N-Methyl-o-oxyacetophenoneiminato-(N',O')-N'-methyl-N'-1-(2-oxyphenyl)- vinylaminatophenylsilicon |
| Formula | C24 H24 N2 O2 Si |
| Calculated formula | C24 H24 N2 O2 Si |
| SMILES | [Si]12(N(C(=C)c3c(O1)cccc3)C)([N](=C(c1c(O2)cccc1)C)C)c1ccccc1 |
| Title of publication | Equilibrium between Tetra-, Penta-, and Hexacoordinate Imine and Enamine Chelates of Silicon: Crystal Structure and Variable-Temperature NMR |
| Authors of publication | Wagler, Jörg; Böhme, Uwe; Brendler, Erica; Roewer, Gerhard |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 1348 |
| a | 8.853 ± 0.001 Å |
| b | 17.016 ± 0.001 Å |
| c | 14.01 ± 0.002 Å |
| α | 90° |
| β | 100.385 ± 0.01° |
| γ | 90° |
| Cell volume | 2075.9 ± 0.4 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0663 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0942 |
| Weighted residual factors for all reflections included in the refinement | 0.1033 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4075681.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4075681.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075681.cif |
| 50619 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4075681, 4075682 via cif-deposit CGI script. |
4075681.cif |
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Users of the data should acknowledge the original authors of the
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