Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4089552
Preview
Coordinates | 4089552.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H25 Br Fe N P |
---|---|
Calculated formula | C25 H25 Br Fe N P |
SMILES | Br[c]12[cH]3[Fe]4567891([c]1([c]4([cH]5[cH]7[cH]61)CN(C)C)P(c1ccccc1)c1ccccc1)[cH]2[cH]8[cH]39 |
Title of publication | Synthesis of 1,1′,2-Trisubstituted Aryl-Based Ferrocenyl Phosphines as Precursors for Immobilized Ligands |
Authors of publication | Madalska, Martyna; Lönnecke, Peter; Ivanovski, Vladimir; Hey-Hawkins, Evamarie |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5852 |
a | 10.2447 ± 0.0011 Å |
b | 22.318 ± 0.003 Å |
c | 10.7042 ± 0.001 Å |
α | 88.383 ± 0.009° |
β | 115.392 ± 0.01° |
γ | 90.615 ± 0.01° |
Cell volume | 2210.1 ± 0.5 Å3 |
Cell temperature | 130 ± 2 K |
Ambient diffraction temperature | 130 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0867 |
Residual factor for significantly intense reflections | 0.0571 |
Weighted residual factors for significantly intense reflections | 0.1223 |
Weighted residual factors for all reflections included in the refinement | 0.1301 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.942 |
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/4089552.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.