Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4100283
Preview
| Coordinates | 4100283.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H51 Cl2 Fe N3 O2 |
|---|---|
| Calculated formula | C40 H51 Cl2 Fe N3 O2 |
| SMILES | c1(cccc(c1/N=C1/c2cccc3C(=[N](c4c(cccc4C(C)C)C(C)C)[Fe](Cl)(Cl)([n]23)[O]1C)OC)C(C)C)C(C)C.c1(ccccc1)C |
| Title of publication | Chelate Bis(imino)pyridine Cobalt Complexes: Synthesis, Reduction, and Evidence for the Generation of Ethene Polymerization Catalysts by Li^+^ Cation Activation |
| Authors of publication | Kleigrewe, Nina; Steffen, Winfried; Blömker, Tobias; Kehr, Gerald; Fröhlich, Roland; Wibbeling, Birgit; Erker, Gerhard; Wasilke, Julia-Christina; Wu, Guang; Bazan, Guillermo C. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Journal issue | 40 |
| Pages of publication | 13955 - 13968 |
| a | 11.5856 ± 0.0005 Å |
| b | 18.9039 ± 0.001 Å |
| c | 34.762 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7613.3 ± 0.6 Å3 |
| Cell temperature | 117 ± 1 K |
| Ambient diffraction temperature | 117 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219032 (current) | 2019-10-02 | cif/4/10/02/ Updated bibliographic information in entries 4100276-4100286. |
4100283.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4100283.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4100283.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4100283.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4100283.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4100283.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4100283.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4100283.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.