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Information card for entry 4083209
Preview
| Coordinates | 4083209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H18 N6 Si |
|---|---|
| Calculated formula | C22 H18 N6 Si |
| SMILES | [Si](n1ccc2cccnc12)(n1ccc2cccnc12)(n1ccc2cccnc12)C |
| Title of publication | 7-Azaindol-1-yl(organo)silanes and Their PdCl2Complexes: Pd-Capped Tetrahedral Silicon Coordination Spheres and Paddlewheels with a Pd–Si Axis |
| Authors of publication | Wahlicht, Sven; Brendler, Erica; Heine, Thomas; Zhechkov, Lyuben; Wagler, Jörg |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 10 |
| Pages of publication | 2479 |
| a | 12.4286 ± 0.0006 Å |
| b | 16.9865 ± 0.0011 Å |
| c | 18.9875 ± 0.0009 Å |
| α | 90° |
| β | 101.579 ± 0.004° |
| γ | 90° |
| Cell volume | 3927 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0702 |
| Residual factor for significantly intense reflections | 0.0399 |
| Weighted residual factors for significantly intense reflections | 0.0817 |
| Weighted residual factors for all reflections included in the refinement | 0.0902 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
4083209.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4083209.cif |
| 115879 | 2014-06-05 | cif/ Updating files of 4083204, 4083205, 4083206, 4083207, 4083208, 4083209, 4083210, 4083211, 4083212, 4083213, 4083214, 4083215, 4083216 Original log message: Adding full bibliography for 4083204--4083216.cif. |
4083209.cif |
| 113611 | 2014-05-13 | cif/ Adding structures of 4083204, 4083205, 4083206, 4083207, 4083208, 4083209, 4083210, 4083211, 4083212, 4083213, 4083214, 4083215, 4083216 via cif-deposit CGI script. |
4083209.cif |
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Users of the data should acknowledge the original authors of the
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