Information card for entry 7101224

Structure parameters

• Chemical name: hexaferrocenylbenzene, 1,2-dichlorobenzene solvate
• Formula: C69 H56 Cl Fe6
• Calculated formula: C69 H56 Cl Fe6
• Title of publication: Hexaferrocenylbenzene
• Authors of publication: Peter Vollhardt; Andrew D. Bond; Philip W. Leonard; Ulrich J. Lorenz; Tatiana V. Timofeeva; Glenn D. Whitener; Andrey A. Yakovenko; Yong Yu
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 24
• a: 44.218 ± 0.011 Å
• b: 11.535 ± 0.002 Å
• c: 22.898 ± 0.005 Å
• α: 90°
• β: 93.96 ± 0.009°
• γ: 90°
• Cell volume: 11651 ± 4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1325
• Residual factor for significantly intense reflections: 0.1051
• Weighted residual factors for significantly intense reflections: 0.2779
• Weighted residual factors for all reflections included in the refinement: 0.2913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.685 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No