Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4102021
Preview
| Coordinates | 4102021.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | C38 H52 N2 Si Ni |
|---|---|
| Formula | C38 H52 N2 Ni Si |
| Calculated formula | C38 H52 N2 Ni Si |
| SMILES | [Ni]12345([Si]6N(C(=CC(N6c6c(cccc6C(C)C)C(C)C)=C)C)c6c(cccc6C(C)C)C(C)C)[c]6([cH]1[c]2([cH]3[c]4([cH]56)C)C)C |
| 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 | 13.8174 ± 0.0011 Å |
| b | 15.2926 ± 0.0012 Å |
| c | 16.7367 ± 0.0013 Å |
| α | 90° |
| β | 91.214 ± 0.006° |
| γ | 90° |
| Cell volume | 3535.7 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.1336 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0546 |
| Weighted residual factors for all reflections included in the refinement | 0.0639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.683 |
| 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. |
4102021.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4102021.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4102021.cif |
| 24840 | 2011-09-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4102021 via cif-deposit CGI script. |
4102021.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.