Information card for entry 7038315

Structure parameters

• Formula: C30 H46 Bi4 Br12 N10 Se4
• Calculated formula: C30 H46 Bi4 Br12 N10 Se4
• SMILES: C12N(C=CN1CN1C(N(C=C1)C(C)C)=[Se][Bi](Br)([Br][Bi](Br)(Br)Br)(Br)[Se]=2)C(C)C.N#CC
• 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: 12.54238 ± 0.00019 Å
• b: 21.6905 ± 0.0003 Å
• c: 12.37785 ± 0.00018 Å
• α: 90°
• β: 107.268 ± 0.0016°
• γ: 90°
• Cell volume: 3215.62 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0561
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9831
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No