Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7021164
Preview
Coordinates | 7021164.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H72 Cl N4 O2 Rh |
---|---|
Calculated formula | C54 H72 Cl N4 O2 Rh |
Title of publication | Dioxygen adducts of rhodium N-heterocyclic carbene complexes. |
Authors of publication | Keske, Eric C.; Zenkina, Olena V.; Asadi, Ali; Sun, Hongsui; Praetorius, Jeremy M.; Allen, Daryl P.; Covelli, Danielle; Patrick, Brian O.; Wang, Ruiyao; Kennepohl, Pierre; James, Brian R.; Crudden, Cathleen M. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2013 |
Journal volume | 42 |
Journal issue | 20 |
Pages of publication | 7414 - 7423 |
a | 12.6048 ± 0.0005 Å |
b | 21.1023 ± 0.001 Å |
c | 19.8279 ± 0.0009 Å |
α | 90° |
β | 95.063 ± 0.001° |
γ | 90° |
Cell volume | 5253.5 ± 0.4 Å3 |
Cell temperature | 173 ± 1 K |
Ambient diffraction temperature | 173 ± 1 K |
Number of distinct elements | 6 |
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 | 0.0855 |
Residual factor for significantly intense reflections | 0.0486 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0855 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/7021164.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.