Information card for entry 7219406

Structure parameters

• Formula: C42 H48 Bi2 Br6 N4 Se2
• Calculated formula: C42 H48 Bi2 Br6 N4 Se2
• SMILES: [Bi]1(Br)([Br][Bi](Br)([Br]1)(Br)[Se]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Br)[Se]=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(C)cc1C)C
• 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: 9.5278 ± 0.0002 Å
• b: 16.1998 ± 0.0004 Å
• c: 16.2869 ± 0.0004 Å
• α: 90°
• β: 98.199 ± 0.002°
• γ: 90°
• Cell volume: 2488.16 ± 0.1 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: 0.0406
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No