Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082963
Preview
Coordinates | 4082963.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H89 Co N4 O0.5 P3 Zr |
---|---|
Calculated formula | C60 H89 Co N4 O0.5 P3 Zr |
Title of publication | Interaction and Activation of Carbon‒Heteroatom π Bonds with a Zr/Co Heterobimetallic Complex |
Authors of publication | Marquard, Seth L.; Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 8 |
Pages of publication | 2071 |
a | 13.6838 ± 0.0008 Å |
b | 15.328 ± 0.0009 Å |
c | 29.7077 ± 0.0019 Å |
α | 80.707 ± 0.004° |
β | 84.03 ± 0.004° |
γ | 70.574 ± 0.003° |
Cell volume | 5790.7 ± 0.6 Å3 |
Cell temperature | 135 K |
Ambient diffraction temperature | 135 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0947 |
Residual factor for significantly intense reflections | 0.0514 |
Weighted residual factors for all reflections | 0.0991 |
Weighted residual factors for significantly intense reflections | 0.0879 |
Weighted residual factors for all reflections included in the refinement | 0.0991 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
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/4082963.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.