Information card for entry 7708815

Structure parameters

• Formula: C26 H39 Fe2 N2 S2
• Calculated formula: C26 H39.68 Fe2 N2 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: 10.691 ± 0.0008 Å
• b: 14.4262 ± 0.0011 Å
• c: 17.5493 ± 0.0013 Å
• α: 90°
• β: 94.318 ± 0.001°
• γ: 90°
• Cell volume: 2699 ± 0.4 ų
• Cell temperature: 300.16 K
• Ambient diffraction temperature: 300.16 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No