Information card for entry 7016097

Structure parameters

• Formula: C103 H108 Fe2 P4
• Calculated formula: C103 H108 Fe2 P4
• Title of publication: Optical electron transfer through 2,7-diethynylfluorene spacers in mixed-valent complexes containing electron-rich "(η(2)-dppe)(η(5)-C(5)Me(5))Fe" endgroups.
• Authors of publication: Malvolti, Floriane; Rouxel, Cedric; Mongin, Olivier; Hapiot, Philippe; Toupet, Loic; Blanchard-Desce, Mireille; Paul, Frédéric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6616 - 6618
• a: 20.69 ± 0.002 Å
• b: 20.374 ± 0.002 Å
• c: 40.538 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17088 ± 3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• 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: 0.1694
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No