Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566031
Preview
| Coordinates | 1566031.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H45 Fe2 N2 O5 P2 |
|---|---|
| Calculated formula | C36 H45 Fe2 N2 O5 P2 |
| Title of publication | Combining Metal‐Metal Cooperativity, Metal‐Ligand Cooperativity and Chemical Non‐Innocence in Diiron Carbonyl Complexes |
| Authors of publication | van Beek, Cody; van Leest, Nicolaas P.; Lutz, Martin; de Vos, Sander D.; Klein Gebbink, Robertus J.M.; de Bruin, Bas; Broere, Daniel L. J. |
| Journal of publication | Chemical Science |
| Year of publication | 2022 |
| a | 9.2797 ± 0.0004 Å |
| b | 23.4414 ± 0.0012 Å |
| c | 16.6539 ± 0.0008 Å |
| α | 90° |
| β | 95.972 ± 0.002° |
| γ | 90° |
| Cell volume | 3603 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0927 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272109 (current) | 2022-01-19 | cif/ Adding structures of 1566029, 1566030, 1566031, 1566032 via cif-deposit CGI script. |
1566031.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.