Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4108619
Preview
Coordinates | 4108619.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37.5 H59 F6 Fe N4 O4.5 P |
---|---|
Calculated formula | C37.5 H59 F6.019 Fe N4 O4.5 P |
Title of publication | Improved Cooperativity of Spin-Labile Iron(III) Centers by Self-Assembly in Solution |
Authors of publication | Claudio Gandolfi; Christian Moitzi; Peter Schurtenberger; Grace G. Morgan; Martin Albrecht |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 14434 - 14435 |
a | 11.1076 ± 0.0007 Å |
b | 14.3788 ± 0.001 Å |
c | 26.76 ± 0.002 Å |
α | 105.153 ± 0.006° |
β | 93.63 ± 0.007° |
γ | 94.286 ± 0.006° |
Cell volume | 4098.5 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 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 | 0.1113 |
Residual factor for significantly intense reflections | 0.059 |
Weighted residual factors for significantly intense reflections | 0.1315 |
Weighted residual factors for all reflections included in the refinement | 0.1487 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
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/4108619.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.