Information card for entry 4303692

Structure parameters

• Formula: C17 H11 F10 I N3 O Re
• Calculated formula: C17 H11 F10 I N3 O Re
• SMILES: [Re]12(I)(=O)[N](CCN1c1c(c(c(c(c1F)F)F)F)F)(C)CCN2c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Synthesis of Oxorhenium(V) Complexes with Diamido Amine Ancillary Ligands and Their Role in Oxygen Atom Transfer Catalysis
• Authors of publication: Yuee Feng; Joel Aponte; Paul J. Houseworth; Paul D. Boyle; Elon A. Ison
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11058 - 11066
• a: 6.821 ± 0.0003 Å
• b: 8.1645 ± 0.0004 Å
• c: 19.3225 ± 0.001 Å
• α: 96.614 ± 0.002°
• β: 92.581 ± 0.003°
• γ: 106.742 ± 0.002°
• Cell volume: 1020.13 ± 0.09 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0338
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No