Information card for entry 7712029

Structure parameters

• Chemical name: 1,2-di(pyridine-4-yl)ethane.1,2-diiodotetrafluoroethane
• Formula: C13 H12 F4 I2 N2
• Calculated formula: C13 H12 F4 I2 N2
• Title of publication: σ-Hole interactions in organometallic catalysts: the case of methyltrioxorhenium(VII).
• Authors of publication: Calabrese, Miriam; Pizzi, Andrea; Daolio, Andrea; Frontera, Antonio; Resnati, Giuseppe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1030 - 1035
• a: 6.6506 ± 0.0007 Å
• b: 7.53 ± 0.0008 Å
• c: 9.1546 ± 0.001 Å
• α: 94.188 ± 0.006°
• β: 96.753 ± 0.007°
• γ: 105.647 ± 0.007°
• Cell volume: 435.76 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.054
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No