Information card for entry 4108297

Structure parameters

• Formula: C10 H15 B Cl2 F4 Fe2 N O5 P S2
• Calculated formula: C10 H15 B Cl2 F4 Fe2 N O5 P S2
• 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: 10.523 ± 0.003 Å
• b: 14.085 ± 0.004 Å
• c: 15.516 ± 0.005 Å
• α: 97.095 ± 0.005°
• β: 101.417 ± 0.005°
• γ: 90.182 ± 0.005°
• Cell volume: 2236.1 ± 1.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 10
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No