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Information card for entry 4326370
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Coordinates | 4326370.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H57 B Cl2 F4 Fe Ni O3 P2 S2 |
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Calculated formula | C33 H57 B Cl2 F4 Fe Ni O3 P2 S2 |
Title of publication | Active-Site Models for the Nickel-Iron Hydrogenases: Effects of Ligands on Reactivity and Catalytic Properties |
Authors of publication | Maria E. Carroll; Bryan E. Barton; Danielle L. Gray; Amanda E. Mack; Thomas B. Rauchfuss |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 9554 - 9563 |
a | 12.2002 ± 0.0007 Å |
b | 12.273 ± 0.0007 Å |
c | 16.2834 ± 0.0009 Å |
α | 70.372 ± 0.004° |
β | 71.803 ± 0.003° |
γ | 63.754 ± 0.003° |
Cell volume | 2020.7 ± 0.2 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 10 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0577 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0752 |
Weighted residual factors for all reflections included in the refinement | 0.0842 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
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/4326370.html
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