Information card for entry 4086076

Structure parameters

• Formula: C40 H54 Cl4 F12 Fe2 N2 P2 S2
• Calculated formula: C40 H54 Cl4 F12 Fe2 N2 P2 S2
• Title of publication: Hydration of Nitriles to Amides by Thiolate-Bridged Diiron Complexes
• Authors of publication: Tong, Peng; Yang, Dawei; Li, Yang; Wang, Baomin; Qu, Jingping
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 14
• Pages of publication: 3571
• a: 15.75 ± 0.008 Å
• b: 18.4 ± 0.009 Å
• c: 17.337 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5024 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No