Information card for entry 7122530

Structure parameters

• Formula: C20 H36 Cl F6 Fe2 N3 P S2
• Calculated formula: C20 H36 Cl F6 Fe2 N3 P S2
• Title of publication: Methylene insertion into an Fe₂S₂ cluster: formation of a thiolate-bridged diiron complex containing an Fe-CH₂-S moiety.
• Authors of publication: Su, Linan; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 93
• Pages of publication: 13119 - 13122
• a: 16.1521 ± 0.0009 Å
• b: 17.3762 ± 0.0009 Å
• c: 20.485 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5749.4 ± 0.5 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 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: 0.0799
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1773
• Weighted residual factors for all reflections included in the refinement: 0.1887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No