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Information card for entry 4083204
Preview
| Coordinates | 4083204.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 Cl2 N4 Pd Si |
|---|---|
| Calculated formula | C16 H16 Cl2 N4 Pd Si |
| SMILES | [Pd]1(Cl)(Cl)[n]2cccc3ccn([Si](n4ccc5ccc[n]1c45)(C)C)c23 |
| 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 | 9.4054 ± 0.0005 Å |
| b | 16.8216 ± 0.0007 Å |
| c | 11.4133 ± 0.0006 Å |
| α | 90° |
| β | 99.524 ± 0.004° |
| γ | 90° |
| Cell volume | 1780.85 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0334 |
| Residual factor for significantly intense reflections | 0.0242 |
| Weighted residual factors for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.0561 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4083204.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. |
4083204.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. |
4083204.cif |
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Users of the data should acknowledge the original authors of the
structural data.