Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4081513
Preview
Coordinates | 4081513.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H23 Al Cl3 F36 Fe N O4 Sn |
---|---|
Calculated formula | C36 H23 Al Cl3 F36 Fe N O4 Sn |
SMILES | [Sn]1([n]2c([c]34[Fe]56789%10%11([c]13[cH]7[cH]6[cH]45)[cH]1[cH]%11[cH]%10[cH]9[cH]81)c(cc(c2)C)C)(C)C.[Al](OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F.ClC(Cl)Cl |
Title of publication | Stereoselective Ortho Borylation of Pyridylferrocenes |
Authors of publication | Chen, Jiawei; Lalancette, Roger A.; Jäkle, Frieder |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 20 |
Pages of publication | 5843 |
a | 13.1651 ± 0.0004 Å |
b | 14.3393 ± 0.0004 Å |
c | 26.7028 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5040.9 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 9 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.068 |
Residual factor for significantly intense reflections | 0.065 |
Weighted residual factors for significantly intense reflections | 0.164 |
Weighted residual factors for all reflections included in the refinement | 0.166 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4081513.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.