Information card for entry 7122929

Structure parameters

• Formula: C27.5 H64 B20 P7
• Calculated formula: C27.5 H64 B20 P7
• Title of publication: Molecular Doping: Accessing the First Carborane-substituted 1,2,3-Triphospholanide via Insertion of P− into a P−P bond
• Authors of publication: Hey-Hawkins, Evamarie; Coburger, Peter; Gruetzmacher, Hansjoerg
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.4923 ± 0.0003 Å
• b: 17.3312 ± 0.0003 Å
• c: 18.876 ± 0.0003 Å
• α: 105.834 ± 0.001°
• β: 104.446 ± 0.001°
• γ: 93.69 ± 0.001°
• Cell volume: 4673.8 ± 0.15 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No