Information card for entry 4306729

Structure parameters

• Formula: C35 H39 B Cl4 F4 Fe2 N O3 P3 S2
• Calculated formula: C35 H39 B Cl4 F4 Fe2 N O3 P3 S2
• Title of publication: New Nitrosyl Derivatives of Diiron Dithiolates Related to the Active Site of the [FeFe]-Hydrogenases
• Authors of publication: Matthew T. Olsen; Aaron K. Justice; Frédéric Gloaguen; Thomas B. Rauchfuss; Scott R. Wilson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11816 - 11824
• a: 15.265 ± 0.0011 Å
• b: 19.3588 ± 0.0013 Å
• c: 15.5567 ± 0.0011 Å
• α: 90°
• β: 95.573 ± 0.003°
• γ: 90°
• Cell volume: 4575.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No