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Information card for entry 1543246
Preview
| Coordinates | 1543246.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H30 N4 O2.5 Si |
|---|---|
| Calculated formula | C32 H30 N4 O2.5 Si |
| SMILES | [Si]123(n4cccc4C=[N]1c1ccccc1[N]2=Cc1n3ccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1.O1CCCC1 |
| Title of publication | Hexacoordinate Silicon Compounds with a Dianionic Tetradentate (N,N′,N′,N)-Chelating Ligand |
| Authors of publication | Gerlach, Daniela; Brendler, Erica; Wagler, Jörg |
| Journal of publication | Inorganics |
| Year of publication | 2016 |
| Journal volume | 4 |
| Journal issue | 2 |
| Pages of publication | 8 |
| a | 14.3173 ± 0.0004 Å |
| b | 18.2897 ± 0.0008 Å |
| c | 21.3671 ± 0.0007 Å |
| α | 90° |
| β | 101.839 ± 0.002° |
| γ | 90° |
| Cell volume | 5476.1 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1013 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543246.cif |
| 214153 | 2019-03-18 | cif/1 Fixing Z values and formulae |
1543246.cif |
| 182551 | 2016-05-04 | cif/ Adding structures of 1543246 via cif-deposit CGI script. |
1543246.cif |
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Users of the data should acknowledge the original authors of the
structural data.