Information card for entry 4063573

Structure parameters

• Common name: [(dpme)Fe(COCOC4H2NMes)]2Li[Li(THF)2]
• Formula: C55 H56 Fe Li N3 O5
• Calculated formula: C55 H56 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: 25.163 ± 0.004 Å
• b: 10.6991 ± 0.0016 Å
• c: 34.829 ± 0.005 Å
• α: 90°
• β: 90.582 ± 0.003°
• γ: 90°
• Cell volume: 9376 ± 2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No