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Information card for entry 4073445
Preview
Coordinates | 4073445.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H27 F6 Fe2 O6 P3 S2 |
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Calculated formula | C15 H27 F6 Fe2 O6 P3 S2 |
Title of publication | Synthesis of Carboxylic Acid-Modified [FeFe]-Hydrogenase Model Complexes Amenable to Surface Immobilization |
Authors of publication | Thomas, Christine M.; Rüdiger, Olaf; Liu, Tianbiao; Carson, Cody E.; Hall, Michael B.; Darensbourg, Marcetta Y. |
Journal of publication | Organometallics |
Year of publication | 2007 |
Journal volume | 26 |
Journal issue | 16 |
Pages of publication | 3976 |
a | 10.56 ± 0.003 Å |
b | 19.478 ± 0.005 Å |
c | 14.017 ± 0.004 Å |
α | 90° |
β | 112.13° |
γ | 90° |
Cell volume | 2670.7 ± 1.3 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0492 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0946 |
Weighted residual factors for all reflections included in the refinement | 0.1 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4073445.html
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structural data.