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Information card for entry 4070239
Preview
Coordinates | 4070239.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H8 Fe2 O7 Te2 |
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Calculated formula | C11 H8 Fe2 O7 Te2 |
SMILES | [Te]12[Fe]3([Te]([Fe]13(C#[O])(C#[O])C#[O])CC1(C2)COC1)(C#[O])(C#[O])C#[O] |
Title of publication | Preparation and Characterization of Homologous Diiron Dithiolato, Diselenato, and Ditellurato Complexes: [FeFe]-Hydrogenase Models |
Authors of publication | Harb, Mohammad K.; Apfel, Ulf-Peter; Kübel, Joachim; Görls, Helmar; Felton, Greg A. N.; Sakamoto, Taka; Evans, Dennis H.; Glass, Richard S.; Lichtenberger, Dennis L.; El-khateeb, Mohammad; Weigand, Wolfgang |
Journal of publication | Organometallics |
Year of publication | 2009 |
Journal volume | 28 |
Journal issue | 23 |
Pages of publication | 6666 |
a | 7.7877 ± 0.0004 Å |
b | 9.0734 ± 0.0004 Å |
c | 12.6096 ± 0.0006 Å |
α | 101.493 ± 0.002° |
β | 95.493 ± 0.002° |
γ | 110.171 ± 0.003° |
Cell volume | 806.39 ± 0.07 Å3 |
Cell temperature | 183 ± 2 K |
Ambient diffraction temperature | 183 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0555 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.0788 |
Weighted residual factors for all reflections included in the refinement | 0.086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4070239.html
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Users of the data should acknowledge the original authors of the
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