Information card for entry 7219405

Structure parameters

• Formula: C46 H56 Bi2 Cl14 N4 Se2
• Calculated formula: C46 H56 Bi2 Cl14 N4 Se2
• SMILES: [Bi]1([Se]=C2N(C=CN2c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)(Cl)(Cl)[Cl][Bi]([Cl]1)([Se]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Heavier chalcogenone complexes of bismuth(III)trihalides: Potential catalysts for acylative cleavage of cyclic ethers
• Authors of publication: Katam, Srinivas; Suresh, Paladugu; Chatla, Naga Babu; Arruri, Sathyanarayana; Ganesan, Prabusankar
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 15.9721 ± 0.0006 Å
• b: 10.8271 ± 0.0004 Å
• c: 18.3916 ± 0.0006 Å
• α: 90°
• β: 97.51 ± 0.003°
• γ: 90°
• Cell volume: 3153.2 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.06347
• Residual factor for significantly intense reflections: 0.053101
• Weighted residual factors for all reflections included in the refinement: 0.161189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0407
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No