Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4343899
Preview
| Coordinates | 4343899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 13104 |
|---|---|
| Formula | C71 H72 B Cr F24 Fe N4 P3 |
| Calculated formula | C71 H72 B Cr F24 Fe N4 P3 |
| Title of publication | Pushing the Limits of Delta Bonding in Metal-Chromium Complexes with Redox Changes and Metal Swapping. |
| Authors of publication | Eisenhart, Reed J.; Rudd, P. Alex; Planas, Nora; Boyce, David W.; Carlson, Rebecca K.; Tolman, William B.; Bill, Eckhard; Gagliardi, Laura; Lu, Connie C. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 15 |
| Pages of publication | 7579 - 7592 |
| a | 10.5449 ± 0.0008 Å |
| b | 18.5182 ± 0.0014 Å |
| c | 20.4402 ± 0.0016 Å |
| α | 71.096 ± 0.001° |
| β | 78.672 ± 0.001° |
| γ | 87.532 ± 0.001° |
| Cell volume | 3701.7 ± 0.5 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1541 |
| Residual factor for significantly intense reflections | 0.1116 |
| Weighted residual factors for significantly intense reflections | 0.3043 |
| Weighted residual factors for all reflections included in the refinement | 0.3457 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4343899.cif |
| 160490 | 2015-10-06 | cif/ Updating files of 4343895, 4343896, 4343897, 4343898, 4343899 Original log message: Adding full bibliography for 4343895--4343899.cif. |
4343899.cif |
| 151477 | 2015-07-14 | cif/ Adding structures of 4343895, 4343896, 4343897, 4343898, 4343899 via cif-deposit CGI script. |
4343899.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.