Information card for entry 4109044

Structure parameters

• Formula: C69.43 H44.87 B Cl2.87 F20 N3 O2 P Re
• Calculated formula: C69.434 H44.868 B Cl2.868 F20 N3 O2 P Re
• Title of publication: Synthesis of Cationic Rhenium(VII) Oxo Imido Complexes and Their Tunability Towards Oxygen Atom Transfer
• Authors of publication: Elon A. Ison; Jeanette E. Cessarich; Nicholas E. Travia; Phillip E. Fanwick; Mahdi M. Abu-Omar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 1167 - 1178
• a: 18.1716 ± 0.0003 Å
• b: 19.4058 ± 0.0003 Å
• c: 22.118 ± 0.0003 Å
• α: 72.3473 ± 0.0011°
• β: 76.3375 ± 0.0008°
• γ: 65.7914 ± 0.0007°
• Cell volume: 6722.32 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.124
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No