Information card for entry 4119970

Structure parameters

• Formula: C19 H11 B F13 N3 O2 Re
• Calculated formula: C19 H11 B F13 N3 O2 Re
• Title of publication: The Electronic Nature of Terminal Oxo Ligands in Transition-Metal Complexes: Ambiphilic Reactivity of Oxorhenium Species
• Authors of publication: Jessica L. Smeltz; Cassandra P. Lilly; Paul D. Boyle; Elon A. Ison
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9433 - 9441
• a: 15.607 ± 0.006 Å
• b: 10.334 ± 0.004 Å
• c: 14.797 ± 0.005 Å
• α: 90°
• β: 112.852 ± 0.005°
• γ: 90°
• Cell volume: 2199.2 ± 1.4 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No