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Information card for entry 4321646
Preview
Coordinates | 4321646.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H12 F6 Fe N4 O6 S2 |
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Calculated formula | C10 H12 F6 Fe N4 O6 S2 |
SMILES | C(C)#[N][Fe]([N]#CC)([N]#CC)([N]#CC)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F |
Title of publication | Iron(II) Triflate Salts as Convenient Substitutes for Perchlorate Salts: Crystal Structures of [Fe(H2O)6](CF3SO3)2 and Fe(MeCN)4(CF3SO3)2 |
Authors of publication | Karl S. Hagen |
Journal of publication | Inorganic Chemistry |
Year of publication | 2000 |
Journal volume | 39 |
Pages of publication | 5867 - 5869 |
a | 6.7333 ± 0.001 Å |
b | 8.5229 ± 0.0012 Å |
c | 8.948 ± 0.0013 Å |
α | 84.858 ± 0.013° |
β | 86.042 ± 0.012° |
γ | 80.12 ± 0.012° |
Cell volume | 503.1 ± 0.13 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 | 0.0311 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0745 |
Weighted residual factors for all reflections included in the refinement | 0.0764 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
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/4321646.html
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Users of the data should acknowledge the original authors of the
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