Information card for entry 4108296

Structure parameters

• Formula: C25 H50 B2 Cl2 F8 Fe4 N2 O8 P4 S4
• Calculated formula: C25 H50 B2 Cl2 F8 Fe4 N2 O8 P4 S4
• Title of publication: Nitrosyl Derivatives of Diiron(I) Dithiolates Mimic the Structure and Lewis Acidity of the [FeFe]-Hydrogenase Active Site
• Authors of publication: Matthew T. Olsen; Maurizio Bruschi; Luca De Gioia; Thomas B. Rauchfuss; Scott R. Wilson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12021 - 12030
• a: 21.38 ± 0.006 Å
• b: 7.175 ± 0.002 Å
• c: 32.098 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4924 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 10
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.881
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No