Information card for entry 4065567

Structure parameters

• Formula: C114 H100 Fe4 N6 P4
• Calculated formula: C114 H100 Fe4 N6 P4
• Title of publication: 1′,1′′′-Bis(ethynyl)biferrocenyl-Bridged Fe(dppe)Cp* Units: Synthesis, Solid-State Structures, and Electronic Couplings§
• Authors of publication: Lohan, Manja; Justaud, Frédéric; Roisnel, Thierry; Ecorchard, Petra; Lang, Heinrich; Lapinte, Claude
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4804
• a: 16.035 ± 0.0014 Å
• b: 18.1012 ± 0.0016 Å
• c: 18.2591 ± 0.0016 Å
• α: 97.839 ± 0.005°
• β: 104.244 ± 0.004°
• γ: 96.104 ± 0.005°
• Cell volume: 5034.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No