Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7105446
Preview
Coordinates | 7105446.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H45 Fe K O6 |
---|---|
Calculated formula | C32 H45 Fe K O6 |
SMILES | [c]12([c]3([c]4([c]5([c]1(C)[Fe]1234567[cH]2[cH]6c3c([cH]7[cH]12)cccc3)C)C)C)C.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456 |
Title of publication | A reactive iron napthalene complex provides convenient access to the Cp*Fe(-) synthon (Cp*=C(5)Me(5)). |
Authors of publication | Wolf, Robert; Schnöckelborg, Eva-Maria |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 16 |
Pages of publication | 2832 - 2834 |
a | 11.3254 ± 0.0009 Å |
b | 19.2204 ± 0.0016 Å |
c | 14.909 ± 0.0012 Å |
α | 90° |
β | 102.042 ± 0.001° |
γ | 90° |
Cell volume | 3174 ± 0.4 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0552 |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.1111 |
Weighted residual factors for all reflections included in the refinement | 0.1192 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
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/7105446.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.