Information card for entry 7718931

Structure parameters

• Formula: C43.5 H66 B20 N4 P2
• Calculated formula: C43.5 H65.5 B20 N4 P2
• Title of publication: Carboranyl diphosphenes: synthesis, structure and reactivity.
• Authors of publication: Chan, Tek Long; Zhang, Jie; Xie, Zuowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 28
• Pages of publication: 10946 - 10955
• a: 9.8943 ± 0.0002 Å
• b: 10.6362 ± 0.0002 Å
• c: 14.9376 ± 0.0003 Å
• α: 109.77 ± 0.001°
• β: 100.403 ± 0.0008°
• γ: 99.7809 ± 0.0008°
• Cell volume: 1409 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1981
• Weighted residual factors for all reflections included in the refinement: 0.2141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No