Information card for entry 4514010

Structure parameters

• Formula: C54 H46 Al F15 N3 O Re
• Calculated formula: C54 H46 Al F15 N3 O Re
• Title of publication: Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs
• Authors of publication: Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 2
• Pages of publication: 1170
• a: 12.546 ± 0.003 Å
• b: 14.078 ± 0.003 Å
• c: 17.037 ± 0.005 Å
• α: 67.591 ± 0.01°
• β: 72.379 ± 0.009°
• γ: 69.555 ± 0.009°
• Cell volume: 2556.2 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0528
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No