Information card for entry 7122532

Structure parameters

• Formula: C21 H38 Cl F6 Fe2 N3 P S2
• Calculated formula: C21 H38 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: 11.7179 ± 0.0006 Å
• b: 15.2415 ± 0.0008 Å
• c: 33.0452 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5901.8 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1161
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No