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Information card for entry 7040814
Preview
Coordinates | 7040814.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H36 Cl3 Fe2 N O4 P2 S2 |
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Calculated formula | C36 H36 Cl3 Fe2 N O4 P2 S2 |
Title of publication | Effect of the S-to-S bridge on the redox properties and H2 activation performance of diiron complexes related to the [FeFe]-hydrogenase active site. |
Authors of publication | Cheng, Minglun; Wang, Mei; Zheng, Dehua; Sun, Licheng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 44 |
Pages of publication | 17687 - 17696 |
a | 11.174 ± 0.0005 Å |
b | 11.2358 ± 0.0005 Å |
c | 16.7264 ± 0.0008 Å |
α | 71.493 ± 0.002° |
β | 72.711 ± 0.002° |
γ | 84.664 ± 0.002° |
Cell volume | 1901.4 ± 0.15 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 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 | 0.0625 |
Residual factor for significantly intense reflections | 0.057 |
Weighted residual factors for significantly intense reflections | 0.1747 |
Weighted residual factors for all reflections included in the refinement | 0.1806 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
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/7040814.html
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