Information card for entry 4321258

Structure parameters

• Formula: C60 H64 P2
• Calculated formula: C60 H64 P2
• SMILES: c1(P=Cc2ccccc2)c(c(c(c(c1c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C)P=Cc1ccccc1)c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Sterically Encumbered Systems for Two Low-Coordinate Phosphorus Centers
• Authors of publication: Shashin Shah; Tom E. Concolino; Arnold L. Rheingold; John D. Protasiewicz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 3860 - 3867
• a: 27.5025 ± 0.0002 Å
• b: 27.5025 ± 0.0002 Å
• c: 6.6317 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5016.14 ± 0.16 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.2179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No