Information card for entry 1575271

Structure parameters

• Formula: C50 H81 B21 Cu P3
• Calculated formula: C50 H81 B21 Cu 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: 12.4794 ± 0.0005 Å
• b: 14.7895 ± 0.0006 Å
• c: 16.138 ± 0.0006 Å
• α: 88.786 ± 0.002°
• β: 72.01 ± 0.001°
• γ: 88.654 ± 0.001°
• Cell volume: 2831.79 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0672
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No