Information card for entry 4337568

Structure parameters

• Common name: [(tpe)Fe(NHC6H4CCH3)][Li(THF)4]
• Formula: C438 H564 Fe6 Li6 N24 O24
• Calculated formula: C438 H564 Fe6 Li6 N24 O24
• 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: 29.056 ± 0.006 Å
• b: 12.987 ± 0.003 Å
• c: 52.124 ± 0.012 Å
• α: 90°
• β: 90.879 ± 0.003°
• γ: 90°
• Cell volume: 19667 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No