Information card for entry 7708812

Structure parameters

• Formula: C27 H43 F6 Fe2 N2 P S2
• Calculated formula: C27 H43 F6 Fe2 N2 P S2
• 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: 9.197 ± 0.003 Å
• b: 16.209 ± 0.004 Å
• c: 10.954 ± 0.003 Å
• α: 90°
• β: 90.286 ± 0.004°
• γ: 90°
• Cell volume: 1632.9 ± 0.8 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300.13 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No