Information card for entry 4070524

Structure parameters

• Formula: C31 H54 Fe2 N S3
• Calculated formula: C31 H54 Fe2 N S3
• Title of publication: Synthesis and Reactions of Novel Triply Thiolate-Bridged Diiron Complexes [Cp*Fe(μ2-SR)3FeCp*] (Cp*= η5-C5Me5; R = Et, Ph)
• Authors of publication: Chen, Yanhui; Zhou, Yuhan; Qu, Jingping
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 666
• a: 9.1039 ± 0.0009 Å
• b: 33.854 ± 0.003 Å
• c: 11.6173 ± 0.0011 Å
• α: 90°
• β: 105.452 ± 0.005°
• γ: 90°
• Cell volume: 3451.1 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No