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Information card for entry 4350719
Preview
Coordinates | 4350719.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | cwmwm03 |
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Formula | C19 H18 Cl2 Fe N3 O2 S |
Calculated formula | C19 H18 Cl2 Fe N3 O2 S |
SMILES | [Fe]123(Cl)(Cl)OS(=O)c4c(C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)cccc4 |
Title of publication | Sulfinato iron(III) complex for electrocatalytic proton reduction. |
Authors of publication | Cavell, Andrew C.; Hartley, Carolyn L.; Liu, Dan; Tribble, Connor S.; McNamara, William R. |
Journal of publication | Inorganic chemistry |
Year of publication | 2015 |
Journal volume | 54 |
Journal issue | 7 |
Pages of publication | 3325 - 3330 |
a | 14.1819 ± 0.0015 Å |
b | 14.1819 ± 0.0015 Å |
c | 10.816 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2175.4 ± 0.4 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 78 |
Hermann-Mauguin space group symbol | P 43 |
Hall space group symbol | P 4cw |
Residual factor for all reflections | 0.0574 |
Residual factor for significantly intense reflections | 0.0451 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1061 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
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/4350719.html
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