Information card for entry 7032267

Structure parameters

• Formula: C60 H36 Cl6 Fe4 I2
• Calculated formula: C60.0002 H36 Cl6 Fe4 I2
• Title of publication: 1,3,5-Triferrocenyl-2,4,6-tris(ethynylferrocenyl)-benzene - a new member of the family of multiferrocenyl-functionalized cyclic systems.
• Authors of publication: Pfaff, Ulrike; Filipczyk, Grzegorz; Hildebrandt, Alexander; Korb, Marcus; Lang, Heinrich
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16310 - 16321
• a: 27.984 ± 0.002 Å
• b: 9.9891 ± 0.0004 Å
• c: 20.7362 ± 0.0017 Å
• α: 90°
• β: 119.178 ± 0.01°
• γ: 90°
• Cell volume: 5061 ± 0.8 ų
• Cell temperature: 110 ± 0.1 K
• Ambient diffraction temperature: 110 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1186
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2686
• Weighted residual factors for all reflections included in the refinement: 0.2784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No