Information card for entry 7713306

Structure parameters

• Chemical name: SHK-474
• Formula: C32 H48 N2 P2 S8 Se2
• Calculated formula: C32 H48 N2 P2 S8 Se2
• Title of publication: Access to and reactions of P-functional 1,4-dihydro-1,4-diphosphinines fused to two TTF units.
• Authors of publication: Kermanshahian, Shahriar; Kalisch, Tim; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Boeré, René T; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• a: 25.4912 ± 0.0005 Å
• b: 7.7063 ± 0.0001 Å
• c: 21.8491 ± 0.0005 Å
• α: 90°
• β: 108.064 ± 0.0016°
• γ: 90°
• Cell volume: 4080.54 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0748
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No