Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4067543
Preview
| Coordinates | 4067543.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H26 N2 Se Zn |
|---|---|
| Calculated formula | C20 H26 N2 Se Zn |
| SMILES | C12C(C=CC(=CC=1)[Se]c1ccccc1)=[N]([Zn](C)N2C(C)C)C(C)C |
| Title of publication | Functionalized Aminotroponiminate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes |
| Authors of publication | Dochnahl, Maximilian; Löhnwitz, Karolin; Lühl, Anja; Pissarek, Jens-Wolfgang; Biyikal, Mustafa; Roesky, Peter W.; Blechert, Siegfried |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 12 |
| Pages of publication | 2637 |
| a | 9.7435 ± 0.0009 Å |
| b | 10.2851 ± 0.001 Å |
| c | 11.3486 ± 0.0011 Å |
| α | 106.45 ± 0.008° |
| β | 98.432 ± 0.008° |
| γ | 111.941 ± 0.008° |
| Cell volume | 970.13 ± 0.19 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0423 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0739 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178566 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/75. |
4067543.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067543.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067543.cif |
| 34225 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067541, 4067542, 4067543, 4067544 via cif-deposit CGI script. |
4067543.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.