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Information card for entry 4102027
Preview
| Coordinates | 4102027.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | HLSi(HN-NHPh)-Ni(CO)3 |
|---|---|
| Formula | C38 H48 N4 Ni O3 Si |
| Calculated formula | C38 H48 N4 Ni O3 Si |
| SMILES | [Ni]([Si]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)NNc1ccccc1)(C#[O])(C#[O])C#[O] |
| 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)\ρightarrowNi(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 | 21.5161 ± 0.0007 Å |
| b | 11.0448 ± 0.0004 Å |
| c | 15.4285 ± 0.0005 Å |
| α | 90° |
| β | 98.676 ± 0.003° |
| γ | 90° |
| Cell volume | 3624.5 ± 0.2 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1717 |
| Residual factor for significantly intense reflections | 0.0785 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0981 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178766 (current) | 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. |
4102027.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4102027.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102027.cif |
| 24846 | 2011-09-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4102027 via cif-deposit CGI script. |
4102027.cif |
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