Information card for entry 4065568

Structure parameters

• Formula: C108 H106 Fe4 P4
• Calculated formula: C108 H106 Fe4 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: 12.1381 ± 0.0011 Å
• b: 10.5715 ± 0.0009 Å
• c: 34.004 ± 0.003 Å
• α: 90°
• β: 97.06 ± 0.004°
• γ: 90°
• Cell volume: 4330.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No