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Information card for entry 4084466
Preview
| Coordinates | 4084466.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H48 N4 Si |
|---|---|
| Calculated formula | C32 H48 N4 Si |
| SMILES | [Si]1(N(C(=N\C(C)C)\c2ccccc2)C(C)C)(N(C(=N\C(C)C)\c2ccccc2)C(C)C)CC(=C(C1)C)C |
| Title of publication | Bis[N,N′-diisopropylbenzamidinato(−)]silicon(II): Cycloaddition Reactions with Organic 1,3-Dienes and 1,2-Diketones |
| Authors of publication | Laskowski, Nadine; Junold, Konstantin; Kupper, Claudia; Baus, Johannes A.; Burschka, Christian; Tacke, Reinhold |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 21 |
| Pages of publication | 6141 |
| a | 9.718 ± 0.002 Å |
| b | 11.391 ± 0.002 Å |
| c | 14.751 ± 0.003 Å |
| α | 104.84 ± 0.02° |
| β | 94.15 ± 0.02° |
| γ | 94.58 ± 0.02° |
| Cell volume | 1566.1 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0691 |
| Residual factor for significantly intense reflections | 0.0504 |
| Weighted residual factors for significantly intense reflections | 0.1352 |
| Weighted residual factors for all reflections included in the refinement | 0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4084466.cif |
| 178733 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/44. |
4084466.cif |
| 127193 | 2014-11-12 | cif/ Updating files of 4084466, 4084467, 4084468, 4084469, 4084470, 4084471, 4084472, 4084473 Original log message: Adding full bibliography for 4084466--4084473.cif. |
4084466.cif |
| 125180 | 2014-10-09 | cif/ Adding structures of 4084466, 4084467, 4084468, 4084469, 4084470, 4084471, 4084472, 4084473 via cif-deposit CGI script. |
4084466.cif |
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Users of the data should acknowledge the original authors of the
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