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Information card for entry 4102022
Preview
| Coordinates | 4102022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | LSi=Ni-(h6-C6H6) |
|---|---|
| Formula | C35 H46 N2 Ni Si |
| Calculated formula | C35 H46 N2 Ni Si |
| Title of publication | Steering S-H and N-H Bond Activation by a Stable N-Heterocyclic Silylene: Different Addition of H2S, NH3, and Organoamines on a Silicon(II) Ligand versus Its Si(II)→Ni(CO)3Complex |
| Authors of publication | Antje Meltzer; Shigeyoshi Inoue; Carsten Präsang; Matthias Driess |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2010 |
| Journal volume | 132 |
| Pages of publication | 3038 - 3046 |
| a | 8.9717 ± 0.0002 Å |
| b | 16.5067 ± 0.0004 Å |
| c | 22.7886 ± 0.0007 Å |
| α | 90° |
| β | 100.494 ± 0.003° |
| γ | 90° |
| Cell volume | 3318.39 ± 0.15 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0608 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for significantly intense reflections | 0.0863 |
| Weighted residual factors for all reflections included in the refinement | 0.0923 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4102022.cif |
| 178766 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/20. |
4102022.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4102022.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102022.cif |
| 24841 | 2011-09-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4102022 via cif-deposit CGI script. |
4102022.cif |
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Users of the data should acknowledge the original authors of the
structural data.