Information card for entry 4070239

Structure parameters

• Formula: C11 H8 Fe2 O7 Te2
• 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 ų
• 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