Information card for entry 4063571

Structure parameters

• Common name: [(tpe)Fe(THF)][Li(THF)4]
• Formula: C61 H82 Fe Li N3 O5
• Calculated formula: C61 H82 Fe Li N3 O5
• Title of publication: Reductive Coupling of CO Templated by Iron Bound to the Tris(pyrrolide)ethane Scaffold
• Authors of publication: Sazama, Graham T.; Betley, Theodore A.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 16
• Pages of publication: 4315
• a: 13.875 ± 0.005 Å
• b: 24.856 ± 0.009 Å
• c: 15.973 ± 0.006 Å
• α: 90°
• β: 94.945 ± 0.008°
• γ: 90°
• Cell volume: 5488 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1508
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No