Information card for entry 4108298

Structure parameters

• Formula: C14 H33 B F4 Fe2 N O3 P3 S2
• Calculated formula: C14 H33 B F4 Fe2 N O3 P3 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: 12.1879 ± 0.0003 Å
• b: 12.7453 ± 0.0003 Å
• c: 16.8713 ± 0.0003 Å
• α: 90°
• β: 94.754 ± 0.001°
• γ: 90°
• Cell volume: 2611.75 ± 0.1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No