Information card for entry 7707849

Structure parameters

• Formula: C122 H140 B2 F30 N6 O7 Ti2
• Calculated formula: C122 H140 B2 F30 N6 O7 Ti2
• Title of publication: Dihydrogen cleavage by a dimetalloxycarbene-borane frustrated Lewis pair.
• Authors of publication: Paparo, Albert; Nguyen, Anh L. P.; Silvia, Jared S.; Spaniol, Thomas P.; Maron, Laurent; Cummins, Christopher C.; Okuda, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 31
• Pages of publication: 10692 - 10695
• a: 13.57 ± 0.002 Å
• b: 16.462 ± 0.003 Å
• c: 16.688 ± 0.003 Å
• α: 64.91 ± 0.003°
• β: 89.059 ± 0.003°
• γ: 67.79 ± 0.003°
• Cell volume: 3079.3 ± 0.9 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: 0.0947
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1847
• Weighted residual factors for all reflections included in the refinement: 0.202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No