Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4067123
Preview
| Coordinates | 4067123.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H77 Fe4 Li O4 P4 |
|---|---|
| Calculated formula | C52 H77 Fe4 Li O4 P4 |
| Title of publication | The First-Row Transition Metal Interstitial Hydride Anion [{PhP(CH2)3Fe}4(μ4-H)] |
| Authors of publication | Serrano, Cristina Berges; Less, Robert J.; McPartlin, Mary; Naseri, Vesal; Wright, Dominic S. |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 22 |
| Pages of publication | 5754 |
| a | 17.3852 ± 0.0003 Å |
| b | 17.3852 ± 0.0003 Å |
| c | 8.9337 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2700.17 ± 0.09 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0318 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0612 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281947 (current) | 2023-03-20 | Updated the summary chemical formula and the atom site type symbols to represent hydride anions as 'H-' instead of 'He'. This allows to correctly recognise them as hydrogen atoms instead of helium atoms. |
4067123.cif |
| 178562 | 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 4/06/71. |
4067123.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067123.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067123.cif |
| 34088 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067123 via cif-deposit CGI script. |
4067123.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.