Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7040813
Preview
Coordinates | 7040813.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C47 H74 Br3 Fe N2 O2 P |
---|---|
Calculated formula | C47 H74 Br3 Fe N2 O2 P |
SMILES | [Fe](Br)(Br)(Br)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.n1(c[n+](cc1)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.O1CCCC1.O1CCCC1 |
Title of publication | Alkyl Grignard cross-coupling of aryl phosphates catalyzed by new, highly active ionic iron(ii) complexes containing a phosphine ligand and an imidazolium cation. |
Authors of publication | Li, Zhuang; Liu, Ling; Sun, Hong-Mei; Shen, Qi; Zhang, Yong |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 44 |
Pages of publication | 17739 - 17747 |
a | 11.3255 ± 0.0004 Å |
b | 13.2264 ± 0.0005 Å |
c | 18.654 ± 0.0009 Å |
α | 99.408 ± 0.004° |
β | 102.8 ± 0.004° |
γ | 105.251 ± 0.003° |
Cell volume | 2554.8 ± 0.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.134 |
Residual factor for significantly intense reflections | 0.0782 |
Weighted residual factors for significantly intense reflections | 0.2108 |
Weighted residual factors for all reflections included in the refinement | 0.2405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/7040813.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.