Information card for entry 7711835

Structure parameters

• Formula: C78 H92 P2 Se2
• Calculated formula: C78 H92 P2 Se2
• Title of publication: Deoxygenation of chalcogen oxides EO2 (E = S, Se) with phospha-Wittig reagents
• Authors of publication: Dankert, Fabian; Gupta, Priyanka; Wellnitz, Tim; Baumann, Wolfgang; Hering-Junghans, Christian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.6443 ± 0.0005 Å
• b: 13.4424 ± 0.0005 Å
• c: 13.6754 ± 0.0006 Å
• α: 75.973 ± 0.002°
• β: 71.929 ± 0.002°
• γ: 67.041 ± 0.002°
• Cell volume: 1696.32 ± 0.13 ų
• Cell temperature: 150.01 K
• Ambient diffraction temperature: 150.01 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: 0.0393
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No