Information card for entry 4068363

Structure parameters

• Formula: C9 H6 Fe2 O6 Se2
• Calculated formula: C9 H6 Fe2 O6 Se2
• Title of publication: Synthesis and Characterization of Diiron Diselenolato Complexes Including Iron Hydrogenase Models
• Authors of publication: Harb, Mohammad K.; Niksch, Tobias; Windhager, Jochen; Görls, Helmar; Holze, Rudolf; Lockett, L. Tori; Okumura, Noriko; 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: 4
• Pages of publication: 1039
• a: 6.9331 ± 0.0002 Å
• b: 13.3655 ± 0.0005 Å
• c: 7.9811 ± 0.0003 Å
• α: 90°
• β: 108.879 ± 0.002°
• γ: 90°
• Cell volume: 699.78 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No