Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039403
Preview
Coordinates | 7039403.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H67 Fe N3 P2 |
---|---|
Calculated formula | C46 H67 Fe N3 P2 |
SMILES | [Fe]12([P](C3=C(N2c2c(cccc2C)C)CCC3)(C(C)C)C(C)C)[N](=P(C(C)C)(C(C)C)C2CCCC=2N1c1c(cccc1C)C)c1c(cccc1C)C |
Title of publication | Low coordinate iron derivatives stabilized by a β-diketiminate mimic. Synthesis and coordination chemistry of enamidophosphinimine scaffolds to generate diiron dinitrogen complexes. |
Authors of publication | Hein, Nicholas M.; Suzuki, Tatsuya; Ogawa, Takahiko; Fryzuk, Michael D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 37 |
Pages of publication | 14697 - 14708 |
a | 19.562 ± 0.003 Å |
b | 11.2091 ± 0.0014 Å |
c | 20.674 ± 0.003 Å |
α | 90° |
β | 112.138 ± 0.003° |
γ | 90° |
Cell volume | 4199 ± 1 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1598 |
Residual factor for significantly intense reflections | 0.0807 |
Weighted residual factors for significantly intense reflections | 0.1703 |
Weighted residual factors for all reflections included in the refinement | 0.2062 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
Diffraction radiation probe | x-ray |
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/7039403.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.