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Information card for entry 7000992
Preview
Coordinates | 7000992.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H23 F3 Fe2 N O5 P S2 |
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Calculated formula | C32 H23 F3 Fe2 N O5 P S2 |
Title of publication | Fluorophenyl-substituted Fe-only hydrogenases active site ADT models: different electrocatalytic process for proton reduction in HOAc and HBF4/Et2O |
Authors of publication | Wang, Wen-Guang; Wang, Hong-Yan; Si, Gang; Tung, Chen-Ho; Wu, Li-Zhu |
Journal of publication | Dalton Transactions |
Year of publication | 2009 |
Journal issue | 15 |
Pages of publication | 2712 - 2720 |
a | 9.4981 ± 0.0013 Å |
b | 10.2902 ± 0.0015 Å |
c | 17.554 ± 0.002 Å |
α | 73.294 ± 0.002° |
β | 79.295 ± 0.002° |
γ | 88.532 ± 0.002° |
Cell volume | 1614 ± 0.4 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 2 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0307 |
Weighted residual factors for significantly intense reflections | 0.0706 |
Weighted residual factors for all reflections included in the refinement | 0.078 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
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/7000992.html
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structural data.