Information card for entry 4346897

Structure parameters

• Formula: C48 H42 Fe3 Mo2 N2 O8
• Calculated formula: C48 H42 Fe3 Mo2 N2 O8
• 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: 11.5238 ± 0.0009 Å
• b: 13.0164 ± 0.0009 Å
• c: 15.4293 ± 0.0013 Å
• α: 106.699 ± 0.002°
• β: 107.665 ± 0.002°
• γ: 92.419 ± 0.003°
• Cell volume: 2090.9 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No