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Information card for entry 4107692
Preview
Coordinates | 4107692.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C123 H114 B2 Cl18 F8 Fe4 O6 P8 S4 |
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Calculated formula | C123 H114 B2 Cl18 F8 Fe4 O6 P8 S4 |
Title of publication | Diiron Dithiolato Carbonyls Related to the HoxCO State of [FeFe]-Hydrogenase |
Authors of publication | Aaron K. Justice; Mark J. Nilges; Thomas B. Rauchfuss; Scott R. Wilson; Luca De Gioia; Giuseppe Zampella |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 5293 - 5301 |
a | 10.614 ± 0.006 Å |
b | 15.276 ± 0.009 Å |
c | 22.765 ± 0.013 Å |
α | 97.618 ± 0.009° |
β | 94.054 ± 0.009° |
γ | 100.371 ± 0.009° |
Cell volume | 3582 ± 4 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 9 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0836 |
Residual factor for significantly intense reflections | 0.0594 |
Weighted residual factors for significantly intense reflections | 0.1778 |
Weighted residual factors for all reflections included in the refinement | 0.1936 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/4107692.html
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