Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4118139
Preview
Coordinates | 4118139.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [Co(TpivPP)(1-EtIm)(O2)]C6H6 |
---|---|
Formula | C75 H78 Co N10 O6 |
Calculated formula | C75 H78 Co N10 O6 |
Title of publication | Structural Insights into Ligand Dynamics: Correlated Oxygen and Picket Motion in Oxycobalt Picket Fence Porphyrins |
Authors of publication | Jianfeng Li; Bruce C. Noll; Allen G. Oliver; W. Robert Scheidt |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 10595 - 10606 |
a | 18.711 ± 0.002 Å |
b | 19.566 ± 0.003 Å |
c | 18.725 ± 0.003 Å |
α | 90° |
β | 90.824 ± 0.005° |
γ | 90° |
Cell volume | 6854.5 ± 1.7 Å3 |
Cell temperature | 300 ± 2 K |
Ambient diffraction temperature | 300 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1091 |
Residual factor for significantly intense reflections | 0.0606 |
Weighted residual factors for significantly intense reflections | 0.1755 |
Weighted residual factors for all reflections included in the refinement | 0.2052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4118139.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.