Information card for entry 4119968

Structure parameters

• Formula: C38 H16 B Cl2 F25 N3 O2 Re
• Calculated formula: C38 H16 B Cl2 F25 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: 11.049 ± 0.002 Å
• b: 35.508 ± 0.007 Å
• c: 11.003 ± 0.002 Å
• α: 90°
• β: 106.784 ± 0.005°
• γ: 90°
• Cell volume: 4132.9 ± 1.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 8
• 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: 0.065
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0773
• 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