Information card for entry 1575523

Structure parameters

• Formula: C57 H85 B N10 V
• Calculated formula: C57 H85 B N10 V
• Title of publication: A titanium redox-switch enables reversible C-C bond forming and splitting reactions.
• Authors of publication: G Jafari, Mehrafshan; Fehn, Dominik; Sandoval-Pauker, Christian; Gau, Michael R.; Meyer, Karsten; Pinter, Balazs; Mindiola, Daniel J.; Reinholdt, Anders
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 38
• Pages of publication: 17714 - 17724
• a: 11.9108 ± 0.0002 Å
• b: 12.6051 ± 0.0002 Å
• c: 24.0379 ± 0.0005 Å
• α: 104.569 ± 0.0018°
• β: 90.2187 ± 0.0018°
• γ: 118.154 ± 0.002°
• Cell volume: 3047.76 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.237
• Weighted residual factors for all reflections included in the refinement: 0.2421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No