Information card for entry 4337569

Structure parameters

• Common name: [(tpe)Fe(SBn)][Li(THF)2(Et2O)2]
• Formula: C64 H85.56 Fe Li N3 O4 S
• Calculated formula: C64 H85.602 Fe Li N3 O4 S
• Title of publication: Multiple, disparate redox pathways exhibited by a tris(pyrrolido)ethane iron complex.
• Authors of publication: Sazama, Graham T.; Betley, Theodore A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 269 - 281
• a: 12.256 ± 0.003 Å
• b: 27.789 ± 0.006 Å
• c: 18.113 ± 0.004 Å
• α: 90°
• β: 104.699 ± 0.005°
• γ: 90°
• Cell volume: 5967 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1004
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1426
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No