Information card for entry 7713304

Structure parameters

• Chemical name: SHK-150
• Formula: C49 H66 Cl2 N4 P4 S16
• Calculated formula: C49 H66 Cl2 N4 P4 S16
• 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: 15.909 ± 0.002 Å
• b: 11.9462 ± 0.0015 Å
• c: 17.63 ± 0.002 Å
• α: 90°
• β: 107.95 ± 0.003°
• γ: 90°
• Cell volume: 3187.5 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1361
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.1757
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No