Information card for entry 7038307

Structure parameters

• Formula: C29 H40 Bi F9 N8 O9 S7
• Calculated formula: C29 H40 Bi F9 N8 O9 S7
• SMILES: [Bi]12([S]=C3N(C=CN3CN3C=CN(C3=[S]1)C(C)C)C(C)C)([S]=C1N(C=CN1C(C)C)CN1C=CN(C1=[S]2)C(C)C)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Bismuth(III)dichalcogenones as Highly Active Catalysts in Multiple C-C Bond Formation Reactions
• Authors of publication: Katam, Srinivas; Arruri, Sathyanarayana; Chatla, Naga Babu; Ganesan, Prabusankar
• Journal of publication: Dalton Trans.
• Year of publication: 2016
• a: 15.1033 ± 0.0003 Å
• b: 13.2707 ± 0.0003 Å
• c: 22.9733 ± 0.0004 Å
• α: 90°
• β: 94.638 ± 0.0016°
• γ: 90°
• Cell volume: 4589.49 ± 0.16 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No