Information card for entry 7710647

Structure parameters

• Common name: tris[bis(mu2-sulfido)-bis(2,3-diaminopropionato-N,N',O)-dioxo-di-tungsten(V)]-tetrakis[potassium tetrasulfido-tungsten(VI)]-tetradecaaqua adduct
• Chemical name: tris[bis(mu2-sulfido)-bis(2,3-diaminopropionato-N,N',O)-dioxo-di-tungsten(V)]-tetrakis[potassium tetrasulfido-tungsten(VI)]-tetradecaaqua adduct
• Formula: C18 H70 K8 N12 O32 S22 W10
• Calculated formula: C18 H70.002 K8.0001 N12 O32.001 S22 W10
• Title of publication: New strategies towards advanced CT contrast agents. Development of neutral and monoanionic sulfur-bridged W(V) dimeric complexes
• Authors of publication: Varbanov, Hristo Plamenov; Glasnov, Toma N.; Belaj, Ferdinand; Herbert, Simon; Brumby, Thomas; Moesch-Zanetti, Nadia Carmen
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.0697 ± 0.0007 Å
• b: 18.0697 ± 0.0007 Å
• c: 45.2783 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12803.3 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No