Information card for entry 7038310

Structure parameters

• Formula: C18 H24 Bi2 Br6 N8 S4
• Calculated formula: C18 H24 Bi2 Br6 N8 S4
• SMILES: C12N(C)C=CN1CN1C(N(C=C1)C)=[S][Bi]1([S]=2)(Br)(Br)[Br][Bi]2(Br)(Br)([Br]1)[S]=C1N(C)C=CN1CN1C(N(C=C1)C)=[S]2
• 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: 9.393 ± 0.002 Å
• b: 17.461 ± 0.002 Å
• c: 11.491 ± 0.002 Å
• α: 90°
• β: 113.29 ± 0.03°
• γ: 90°
• Cell volume: 1731.1 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0575
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9962
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No