Information card for entry 1575272

Structure parameters

• Formula: C30 H67 B20 Cu N5 P3
• Calculated formula: C30 H67 B20 Cu N5 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: 10.3603 ± 0.0006 Å
• b: 11.3077 ± 0.0007 Å
• c: 20.9212 ± 0.0013 Å
• α: 79.915 ± 0.002°
• β: 84.143 ± 0.002°
• γ: 74.576 ± 0.002°
• Cell volume: 2322.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No