Information card for entry 4107234

Structure parameters

• Formula: C98 H92 B2 Cl2 F48 Fe2 P8
• Calculated formula: C98 H92 B2 Cl2 F48 Fe2 P8
• Title of publication: Topological and Electronic Influences on Magnetic Exchange Coupling in Fe(III) Ethynylbenzene Dendritic Building Blocks
• Authors of publication: Wesley A. Hoffert; Anthony K. Rappé; Matthew P. Shores
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 20823 - 20836
• a: 13.4127 ± 0.0007 Å
• b: 14.1127 ± 0.0007 Å
• c: 17.5241 ± 0.001 Å
• α: 66.813 ± 0.001°
• β: 67.956 ± 0.001°
• γ: 81.356 ± 0.002°
• Cell volume: 2826.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No