Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4065317
Preview
Coordinates | 4065317.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1531 [FeCl(OPN-iPr)2]Cl at 100K |
---|---|
Formula | C22 H38 Cl2 Fe N4 O2 P2 |
Calculated formula | C22 H38 Cl2 Fe N4 O2 P2 |
SMILES | [Fe]12(Cl)([O]=P(Nc3[n]1cccc3)(C(C)C)C(C)C)[O]=P(Nc1[n]2cccc1)(C(C)C)C(C)C.[Cl-] |
Title of publication | Reversible Addition of CO to Coordinatively Unsaturated High-Spin Iron(II) Complexes |
Authors of publication | Holzhacker, Christian; Standfest-Hauser, Christina M.; Puchberger, Michael; Mereiter, Kurt; Veiros, Luis F.; Calhorda, Maria José; Carvalho, Maria Deus; Ferreira, Liliana P.; Godinho, Margarida; Hartl, František; Kirchner, Karl |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 24 |
Pages of publication | 6587 |
a | 10.5712 ± 0.0002 Å |
b | 10.7944 ± 0.0002 Å |
c | 12.3258 ± 0.0002 Å |
α | 90° |
β | 90.405 ± 0.001° |
γ | 90° |
Cell volume | 1406.46 ± 0.04 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0205 |
Residual factor for significantly intense reflections | 0.0199 |
Weighted residual factors for significantly intense reflections | 0.0531 |
Weighted residual factors for all reflections included in the refinement | 0.0536 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4065317.html
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.