Information card for entry 4086073

Structure parameters

• Formula: C30 H46 F12 Fe2 N2 P2 S2
• Calculated formula: C30 H46 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: 10.461 ± 0.004 Å
• b: 22.202 ± 0.008 Å
• c: 16.698 ± 0.006 Å
• α: 90°
• β: 102.608 ± 0.005°
• γ: 90°
• Cell volume: 3785 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1783
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No