Information card for entry 4325713

Structure parameters

• Formula: C36 H36 Br2 N2
• Calculated formula: C36 H36 Br2 N2
• Title of publication: Electronic Perturbations of Iron Dipyrrinato Complexes via Ligand β-Halogenation and meso-Fluoroarylation
• Authors of publication: Austin B. Scharf; Theodore A. Betley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6837 - 6845
• a: 8.845 ± 0.003 Å
• b: 14.897 ± 0.005 Å
• c: 23.629 ± 0.008 Å
• α: 90°
• β: 100.233 ± 0.005°
• γ: 90°
• Cell volume: 3063.9 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.2211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No