Information card for entry 4346896

Structure parameters

• Formula: C56 H36 F18 Fe Mo2 N6 O2
• Calculated formula: C56 H36 F18 Fe Mo2 N6 O2
• Title of publication: Filling a Gap: Electrochemical Property Comparison of the Completed Compound Series [Mo2(DArF)n(O2C-Fc)4-n] (DArF = N,N'-Diarylformamidinate; O2C-Fc = Ferrocenecarboxylate).
• Authors of publication: Cai, Xu-Min; Meister, Teresa K.; Pöthig, Alexander; Kühn, Fritz E
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 858 - 864
• a: 13.0579 ± 0.0006 Å
• b: 14.6896 ± 0.0007 Å
• c: 15.3071 ± 0.0007 Å
• α: 91.966 ± 0.002°
• β: 98.829 ± 0.002°
• γ: 111.382 ± 0.002°
• Cell volume: 2688.6 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0288
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No