Information card for entry 7708814

Structure parameters

• Formula: C29 H48 F11 Fe2 N2 P2 S2 Si
• Calculated formula: C29 H49 F11 Fe2 N2 P2 S2 Si
• Title of publication: Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere
• Authors of publication: Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 17.0907 ± 0.001 Å
• b: 15.7948 ± 0.0009 Å
• c: 32.7765 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8847.8 ± 0.9 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1156
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No