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Information card for entry 4108296
Preview
Coordinates | 4108296.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H50 B2 Cl2 F8 Fe4 N2 O8 P4 S4 |
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Calculated formula | C25 H50 B2 Cl2 F8 Fe4 N2 O8 P4 S4 |
Title of publication | Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site |
Authors of publication | Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 12021 - 12030 |
a | 21.38 ± 0.006 Å |
b | 7.175 ± 0.002 Å |
c | 32.098 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4924 ± 2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 10 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0889 |
Residual factor for significantly intense reflections | 0.0396 |
Weighted residual factors for significantly intense reflections | 0.0673 |
Weighted residual factors for all reflections included in the refinement | 0.0764 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.881 |
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/4108296.html
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structural data.