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Information card for entry 4313291
Preview
Coordinates | 4313291.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H18 F6 Fe N4 O6 S2 |
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Calculated formula | C10 H18 F6 Fe N4 O6 S2 |
SMILES | [Fe]12([NH2]C3CC([NH2]1)CC([NH2]2)C3)(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)[N]#CC |
Title of publication | High-Nuclearity Metal-Cyanide Clusters: Synthesis, Magnetic Properties, and Inclusion Behavior of Open-Cage Species Incorporating [(tach)M(CN)3] (M = Cr, Fe, Co) Complexes |
Authors of publication | Jenny Y. Yang; Matthew P. Shores; Jennifer J. Sokol; Jeffrey R. Long |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1403 - 1419 |
a | 8.247 ± 0.003 Å |
b | 18.282 ± 0.007 Å |
c | 13.049 ± 0.005 Å |
α | 90° |
β | 94.78 ± 0.008° |
γ | 90° |
Cell volume | 1960.6 ± 1.3 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0456 |
Residual factor for significantly intense reflections | 0.0317 |
Weighted residual factors for all reflections | 0.077 |
Weighted residual factors for significantly intense reflections | 0.074 |
Goodness-of-fit parameter for all reflections | 0.931 |
Goodness-of-fit parameter for significantly intense reflections | 1.063 |
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/4313291.html
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