Information card for entry 7713307

Structure parameters

• Chemical name: SHK-499
• Formula: C25 H32 Cl2 N2 O2 P2 S8
• Calculated formula: C25 H34 Cl2 N2 O2 P2 S8
• 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: 23.9063 ± 0.0004 Å
• b: 7.61506 ± 0.0001 Å
• c: 19.2661 ± 0.0003 Å
• α: 90°
• β: 102.092 ± 0.001°
• γ: 90°
• Cell volume: 3429.53 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No