Information card for entry 1575273

Structure parameters

• Formula: C32 H70 B20 Cl Cu N3 P3
• Calculated formula: C32 H70 B20 Cl Cu N3 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: 11.325 ± 0.0004 Å
• b: 41.3884 ± 0.0015 Å
• c: 10.463 ± 0.0004 Å
• α: 90°
• β: 102.191 ± 0.001°
• γ: 90°
• Cell volume: 4793.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0321
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No