Information card for entry 1575269

Structure parameters

• Formula: C30 H69 B20 O2 P3
• Calculated formula: C30 H69 B20 O2 P3
• Title of publication: Non-spectator behavior of a neutral phosphine ligand driven by a redox-active boron cluster.
• Authors of publication: Riffle, Jared R.; Jowers, Cash L.; Luna, Sarah; Smith, Mark D.; Peryshkov, Dmitry V.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 35
• Pages of publication: 15997 - 16003
• a: 19.5502 ± 0.001 Å
• b: 12.5616 ± 0.0006 Å
• c: 18.7554 ± 0.0009 Å
• α: 90°
• β: 105.33 ± 0.002°
• γ: 90°
• Cell volume: 4442.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No