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Information card for entry 4108298
Preview
Coordinates | 4108298.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H33 B F4 Fe2 N O3 P3 S2 |
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Calculated formula | C14 H33 B F4 Fe2 N O3 P3 S2 |
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 | 12.1879 ± 0.0003 Å |
b | 12.7453 ± 0.0003 Å |
c | 16.8713 ± 0.0003 Å |
α | 90° |
β | 94.754 ± 0.001° |
γ | 90° |
Cell volume | 2611.75 ± 0.1 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 9 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0665 |
Residual factor for significantly intense reflections | 0.0479 |
Weighted residual factors for significantly intense reflections | 0.118 |
Weighted residual factors for all reflections included in the refinement | 0.1265 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
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/4108298.html
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