Information card for entry 4514011

Structure parameters

• Formula: C37.5 H47 Cl N3 O Re
• Calculated formula: C37.5 H47 Cl 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: 15.6648 ± 0.0007 Å
• b: 13.4862 ± 0.0005 Å
• c: 17.082 ± 0.0008 Å
• α: 90°
• β: 105.914 ± 0.002°
• γ: 90°
• Cell volume: 3470.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No