Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4076435
Preview
| Coordinates | 4076435.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H56 Cl2 Fe N4 O |
|---|---|
| Calculated formula | C39 H56 Cl2 Fe N4 O |
| Title of publication | Bis(imino)pyridine Iron Dinitrogen Compounds Revisited: Differences in Electronic Structure Between Four- and Five-Coordinate Derivatives. |
| Authors of publication | E Stieber, S Chantal; Milsmann, Carsten; Hoyt, Jordan M.; Turner, Zoë R; Finkelstein, Kenneth D.; Wieghardt, Karl; Debeer, Serena; Chirik, Paul J. |
| Journal of publication | Organometallics |
| Year of publication | 2012 |
| Journal volume | 31 |
| Journal issue | 6 |
| Pages of publication | 2275 - 2285 |
| a | 12.1498 ± 0.0003 Å |
| b | 17.4739 ± 0.0004 Å |
| c | 18.4022 ± 0.0005 Å |
| α | 90° |
| β | 100.35 ± 0.002° |
| γ | 90° |
| Cell volume | 3843.3 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0408 |
| Residual factor for significantly intense reflections | 0.0381 |
| Weighted residual factors for significantly intense reflections | 0.0941 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178653 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/64. |
4076435.cif |
| 113462 | 2014-05-12 | cif/ Updating files of 4076435, 4076436, 4076437, 4076438, 4076439 Original log message: Adding full bibliography for 4076435--4076439.cif. |
4076435.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4076435.cif |
| 51958 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4076435, 4076436, 4076437, 4076438, 4076439 via cif-deposit CGI script. |
4076435.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.