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Information card for entry 4106375
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Coordinates | 4106375.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C105.55 H88.69 Fe2 N2 O9 S |
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Calculated formula | C105.551 H88.694 Fe2 N2 O9 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 | 13.328 ± 0.0009 Å |
b | 17.0039 ± 0.0012 Å |
c | 20.3398 ± 0.0014 Å |
α | 87.468 ± 0.001° |
β | 74.133 ± 0.001° |
γ | 73.729 ± 0.001° |
Cell volume | 4253.7 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.047 |
Weighted residual factors for significantly intense reflections | 0.0906 |
Weighted residual factors for all reflections included in the refinement | 0.1029 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4106375.html
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Users of the data should acknowledge the original authors of the
structural data.