Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4106377
Preview
Coordinates | 4106377.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C66.91 H57 Ag Cl9.82 Fe2 N2 O17 S |
---|---|
Calculated formula | C66.9124 H57 Ag Cl9.8248 Fe2 N2 O17 S |
Title of publication | Toward Functional Carboxylate-Bridged Diiron Protein Mimics: Achieving Structural Stability and Conformational Flexibility Using a Macrocylic Ligand Framework |
Authors of publication | Loi H. Do; Stephen J. Lippard |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 10568 - 10581 |
a | 16.6129 ± 0.0008 Å |
b | 20.5472 ± 0.0009 Å |
c | 21.677 ± 0.0013 Å |
α | 90° |
β | 107.376 ± 0.001° |
γ | 90° |
Cell volume | 7061.7 ± 0.6 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 8 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0427 |
Residual factor for significantly intense reflections | 0.0402 |
Weighted residual factors for significantly intense reflections | 0.1057 |
Weighted residual factors for all reflections included in the refinement | 0.1082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/4106377.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.