Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4305235
Preview
| Coordinates | 4305235.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | K[FeIIIH1iPr(OH)].1.5Et2O |
|---|---|
| Chemical name | Potassium {[(N'-tert-butylureayl)-N-ethyl]-bis (N''-isopropylcarbamoylmethyl)-aminato(hydroxo)ferrate(III)} |
| Formula | C23 H46.5 Fe K N6.5 O5.5 |
| Calculated formula | C23 H46.5 Fe K N6.5 O5.5 |
| Title of publication | Synthesis, Structure, and Physical Properties for a Series of Monomeric Iron(III) Hydroxo Complexes with Varying Hydrogen-Bond Networks |
| Authors of publication | Jhumpa Mukherjee; Robie L. Lucas; Matthew K. Zart; Douglas R. Powell; Victor W. Day; A. S. Borovik |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 5780 - 5786 |
| a | 25.175 ± 0.003 Å |
| b | 9.8523 ± 0.0012 Å |
| c | 26.326 ± 0.003 Å |
| α | 90° |
| β | 107.612 ± 0.003° |
| γ | 90° |
| Cell volume | 6223.6 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0327 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0831 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4305235.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305235.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305235.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305235.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.