Information card for entry 4130136

Structure parameters

• Common name: 119
• Formula: C54.4 H43.61 B F15 N3 O Re
• Calculated formula: C54.398 H43.612 B F15 N3 O Re
• Title of publication: Transition-Metal Oxos as the Lewis Basic Component of Frustrated Lewis Pairs.
• Authors of publication: Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 14
• Pages of publication: 4832 - 4842
• a: 12.0773 ± 0.0007 Å
• b: 13.7901 ± 0.0009 Å
• c: 16.7455 ± 0.0009 Å
• α: 69.605 ± 0.003°
• β: 74.537 ± 0.003°
• γ: 72.549 ± 0.003°
• Cell volume: 2452.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0356
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No