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Information card for entry 4079683
Preview
Coordinates | 4079683.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H Cl3 Fe2 O6 S2 |
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Calculated formula | C12 H Cl3 Fe2 O6 S2 |
Title of publication | Cyclic Voltammetric Studies of Chlorine-Substituted Diiron Benzenedithiolato Hexacarbonyl Electrocatalysts Inspired by the [FeFe]-Hydrogenase Active Site |
Authors of publication | Donovan, Elizabeth S.; McCormick, Joseph J.; Nichol, Gary S.; Felton, Greg A. N. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 23 |
Pages of publication | 8067 |
a | 7.5788 ± 0.0005 Å |
b | 8.8191 ± 0.0006 Å |
c | 14.7063 ± 0.0009 Å |
α | 88.938 ± 0.004° |
β | 80.939 ± 0.004° |
γ | 64.881 ± 0.004° |
Cell volume | 877.59 ± 0.1 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 | 0.0506 |
Residual factor for significantly intense reflections | 0.0363 |
Weighted residual factors for significantly intense reflections | 0.0918 |
Weighted residual factors for all reflections included in the refinement | 0.099 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4079683.html
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