Information card for entry 4064998

Structure parameters

• Formula: C88 H83 Fe Mo P4
• Calculated formula: C88 H83 Fe Mo P4
• Title of publication: Spectroscopic Evidence for Redox Isomerism in the 1,4-Diethynylbenzene-Bridged Heterobimetallic Cation [{Fe(dppe)Cp*}(μ-C≡CC6H4C≡C){Mo(dppe)(η-C7H7)}]PF6
• Authors of publication: Fitzgerald, Emma C.; Ladjarafi, Abdelkader; Brown, Neil J.; Collison, David; Costuas, Karine; Edge, Ruth; Halet, Jean-François; Justaud, Frédéric; Low, Paul J.; Meghezzi, Hacène; Roisnel, Thierry; Whiteley, Mark W.; Lapinte, Claude
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4180
• a: 19.477 ± 0.002 Å
• b: 24.103 ± 0.002 Å
• c: 31.649 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14858 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2164
• Weighted residual factors for all reflections included in the refinement: 0.245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No