Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7029188
Preview
Coordinates | 7029188.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C39.25 H42.5 Cl1.5 Fe N2 Rh |
---|---|
Calculated formula | C39.25 H42.5 Cl1.499 Fe N2 Rh |
Title of publication | Unsymmetrical N-heterocyclic carbenes with a 1,1'-ferrocenediyl backbone. |
Authors of publication | Rittinghaus, Stefan; Färber, Christian; Bruhn, Clemens; Siemeling, Ulrich |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 9 |
Pages of publication | 3508 - 3520 |
a | 11.6403 ± 0.0007 Å |
b | 14.8878 ± 0.001 Å |
c | 20.1701 ± 0.0012 Å |
α | 98.297 ± 0.005° |
β | 91.535 ± 0.005° |
γ | 103.422 ± 0.005° |
Cell volume | 3357.8 ± 0.4 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 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 | 0.0832 |
Residual factor for significantly intense reflections | 0.0572 |
Weighted residual factors for significantly intense reflections | 0.1347 |
Weighted residual factors for all reflections included in the refinement | 0.1437 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.935 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7029188.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.