Information card for entry 7038308

Structure parameters

• Formula: C29 H40 Bi F9 N8 O9 S3 Se4
• Calculated formula: C29 H40 Bi F9 N8 O9 S3 Se4
• SMILES: [Bi]12([Se]=C3N(C=CN3CN3C(=[Se]1)N(C=C3)C(C)C)C(C)C)[Se]=C1N(C=CN1CN1C(=[Se]2)N(C=C1)C(C)C)C(C)C.S(=O)(=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: 15.3075 ± 0.0006 Å
• b: 13.2282 ± 0.0006 Å
• c: 23.4812 ± 0.0009 Å
• α: 90°
• β: 94.758 ± 0.004°
• γ: 90°
• Cell volume: 4738.3 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn (x-z,y,z)
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1358
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0334
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No