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Information card for entry 7118090
Preview
Coordinates | 7118090.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C33 H63 F12 Fe N7 Ni P2 S2 |
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Calculated formula | C33 H63 F12 Fe N7 Ni P2 S2 |
Title of publication | A Ni(I)Fe(II) analogue of the Ni-L state of the active site of the [NiFe] hydrogenases |
Authors of publication | Carlo U. Perotto; George Marshall; Graham J. Jones; E. Stephen Davies; William Lewis; Jonathan McMaster; Martin Schroder |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 16988 |
a | 24.9779 ± 0.0002 Å |
b | 15.3332 ± 0.00016 Å |
c | 25.33735 ± 0.00019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 9703.98 ± 0.15 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 8 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0371 |
Residual factor for significantly intense reflections | 0.0351 |
Weighted residual factors for significantly intense reflections | 0.0942 |
Weighted residual factors for all reflections included in the refinement | 0.0958 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7118090.html
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