Information card for entry 7038306

Structure parameters

• Formula: C23 H32 Bi F9 N8 O11 S3 Se4
• Calculated formula: C23 H32 Bi F9 N8 O11 S3 Se4
• SMILES: [Bi]12([Se]=C3N(C=CN3CN3C(=[Se]1)N(C=C3)C)C)[Se]=C1N(C=CN1CN1C(=[Se]2)N(C=C1)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.OC.OC
• 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: 9.0767 ± 0.0005 Å
• b: 15.2872 ± 0.0008 Å
• c: 16.471 ± 0.0007 Å
• α: 71.308 ± 0.004°
• β: 86.504 ± 0.004°
• γ: 82.217 ± 0.004°
• Cell volume: 2144.61 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0413
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No