Information card for entry 7101227

Structure parameters

• Chemical name: 1,2-dibromo-3,4,6-triferrocenylbenzene, dichloromethane solvate
• Formula: C36.5 H29 Br2 Cl Fe3
• Calculated formula: C36.5 H29 Br2 Cl Fe3
• 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: 10.9153 ± 0.0003 Å
• b: 11.6153 ± 0.0003 Å
• c: 13.5364 ± 0.0004 Å
• α: 113.98 ± 0.001°
• β: 98.956 ± 0.001°
• γ: 98.17 ± 0.001°
• Cell volume: 1508.32 ± 0.07 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No